![CAS 1010800-01-7 N-[(11bR)-2,6-di-2-naphthalenyl-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/2023/05/1010800-01-7.gif)
CAS RN: 1010800-01-7
N-[(11bR)-2,6-di-2-naphthalenyl-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.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260216 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250528 | 1g | Out of stock | Inquiry | ||
| Batchno.20250825 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251114 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260112 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1010800-01-7
- Purity/Analytical Methods: >99.0%
1010800-01-7 / N-(10,16-dinaphthalen-2-yl-13-oxo-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)-1,1,1-trifluoromethanesulfonamide
(11BR)-N-(2,6-di(naphthalen-2-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide | N-((11BS)-2,6-di(naphthalen-2-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide | N-[(11bR)-2,6-Di-2-naphthalenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide
Basic Information
CAS
1010800-01-7
Multi CAS
No
Molecular Formula
C41H25F3NO5PS
Molecular Weight
731.700000
Exact Mass
731.114316
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4C5=C3OP(=O)(OC6=C5C7=CC=CC=C7C=C6C8=CC9=CC=CC=C9C=C8)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C41H25F3NO5PS/c42-41(43,44)52(47,48)45-51(46)49-39-35(31-19-17-25-9-1-3-11-27(25)21-31)23-29-13-5-7-15-33(29)37(39)38-34-16-8-6-14-30(34)24-36(40(38)50-51)32-20-18-26-10-2-4-12-28(26)22-32/h1-24H,(H,45,46)
InChIKey
IBZLGQJVKHVZIB-UHFFFAOYSA-N
Synonyms
(11BR)-N-(2,6-di(naphthalen-2-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide
N-((11BS)-2,6-di(naphthalen-2-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide
N-[(11bR)-2,6-Di-2-naphthalenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide
N-[(11bS)-2,6-Di-2-naphthalenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide
N-[(11bR)-2,6-di-2-naphthalenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
40
Fraction Csp3
0.02
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
199.75
TPSA
81.7
LogP / Solubility
WLOGP
11.62
MLOGP
10.29
XLogP3
11.6
Consensus LogP
11.17
Log S (ESOL)
-12
Class (ESOL)
Insoluble
Log S (Ali)
-13.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.54
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)
1.07
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
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