![CAS 1071853-94-5 N-[(11bR)-2,6-bis([1,1′-biphenyl]-4-yl)-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1071853-94-5.gif)
CAS RN: 1071853-94-5
N-[(11bR)-2,6-bis([1,1′-biphenyl]-4-yl)-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-008645
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1071853-94-5 / 1,1,1-trifluoro-N-[13-oxo-10,16-bis(4-phenylphenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]methanesulfonamide
(11bR)-N-(2,6-Di([1,1'-biphenyl]-4-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide | (11bS)-N-(2,6-Di([1,1'-biphenyl]-4-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide | N-[(11bR)-2,6-Bis([1,1'-biphenyl]-4-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide
Basic Information
CAS
1071853-94-5
Multi CAS
No
Molecular Formula
C45H29F3NO5PS
Molecular Weight
783.700000
Exact Mass
783.145616
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C5=C3OP(=O)(OC6=C5C7=CC=CC=C7C=C6C8=CC=C(C=C8)C9=CC=CC=C9)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C45H29F3NO5PS/c46-45(47,48)56(51,52)49-55(50)53-43-39(33-23-19-31(20-24-33)29-11-3-1-4-12-29)27-35-15-7-9-17-37(35)41(43)42-38-18-10-8-16-36(38)28-40(44(42)54-55)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h1-28H,(H,49,50)
InChIKey
IWXUTQZPURDASF-UHFFFAOYSA-N
Synonyms
(11bR)-N-(2,6-Di([1,1'-biphenyl]-4-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide
(11bS)-N-(2,6-Di([1,1'-biphenyl]-4-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide
N-[(11bR)-2,6-Bis([1,1'-biphenyl]-4-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide
1,1,1-trifluoro-N-[13-oxo-10,16-bis(4-phenylphenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]methanesulfonamide
C45H29F3NO5PS
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
44
Fraction Csp3
0.02
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
215.61
TPSA
81.7
LogP / Solubility
WLOGP
12.65
MLOGP
11.2
XLogP3
12.3
Consensus LogP
12.05
Log S (ESOL)
-12.85
Class (ESOL)
Insoluble
Log S (Ali)
-15.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
![CAS 1071853-99-0 (R)-N-(2,6-Bis(4-methoxyphenyl)-4-oxido-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(R)-N-(2,6-Bis(4-methoxyphenyl)-4-oxido-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide
- CAS RN: 1071853-99-0
- Product Code: starshine_CAS1071853-99-0
- Purity/Analytical method: >99.0%
-
2-(3,5-di-tert-butylphenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
- CAS RN: 1071924-13-4
- Product Code: SSC-008646
-
BenzeneMethanaMine, N,N-diMethyl-α-[2-(1-naphthalenyloxy)ethyl]-
- CAS RN: 1071929-03-7
- Product Code: starshine_CAS1071929-03-7
- Purity/Analytical method: >99.0%
-
(5-(4-Fluorophenyl)thiophen-2-yl)(5-iodo-2-Methylphenyl)Methanone
- CAS RN: 1071929-08-2
- Product Code: SSC-008647
-
2,4-Dimethyl-N-(4-methylphenyl)-N-phenylbenzenamine
- CAS RN: 1071935-18-6
- Product Code: starshine_CAS1071935-18-6
- Purity/Analytical method: >99.0%
-
4-Methoxy-3-(methoxycarbonyl)phenylboronic acid
- CAS RN: 1071958-96-7
- Product Code: SSC-008648
![CAS 1071853-99-0 (R)-N-(2,6-Bis(4-methoxyphenyl)-4-oxido-7a,8,9,10,11,11a,12,13,14,15-decahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1071853-99-0.gif)
![CAS 1071929-03-7 BenzeneMethanaMine, N,N-diMethyl-α-[2-(1-naphthalenyloxy)ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1071929-03-7.gif)
