![CAS 1010799-98-0 1,1,1-trifluoro-N-[(11bR)-4-oxido-2,6-diphenyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]Methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1010799-98-0.gif)
CAS RN: 1010799-98-0
1,1,1-trifluoro-N-[(11bR)-4-oxido-2,6-diphenyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]Methanesulfonamide
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260215 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-001923
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: 0.25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1010799-98-0 / 1,1,1-trifluoro-N-(13-oxo-10,16-diphenyl-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
1,1,1-Trifluoro-N-[(11bR)-4-oxido-2,6-diphenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]methanesulfonamide | (11BS)-1,1,1-trifluoro-N-(4-oxido-2,6-diphenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)methanesulfonamide | 1,1,1-trifluoro-N-(13-oxo-10,16-diphenyl-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
Basic Information
CAS
1010799-98-0
Multi CAS
No
Molecular Formula
C33H21F3NO5PS
Molecular Weight
631.600000
Exact Mass
631.083015
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=CC=CC=C7)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C33H21F3NO5PS/c34-33(35,36)44(39,40)37-43(38)41-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)42-43)22-13-5-2-6-14-22/h1-20H,(H,37,38)
InChIKey
ONAKWTUAWAYFBJ-UHFFFAOYSA-N
Synonyms
1,1,1-Trifluoro-N-[(11bR)-4-oxido-2,6-diphenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]methanesulfonamide
(11BS)-1,1,1-trifluoro-N-(4-oxido-2,6-diphenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)methanesulfonamide
1,1,1-trifluoro-N-(13-oxo-10,16-diphenyl-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
C33H21F3NO5PS
MFCD32670818
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
32
Fraction Csp3
0.03
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
164.73
TPSA
81.7
LogP / Solubility
WLOGP
9.31
MLOGP
8.25
XLogP3
9.1
Consensus LogP
8.89
Log S (ESOL)
-9.9
Class (ESOL)
Insoluble
Log S (Ali)
-11.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.97
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)
0.04
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
6
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