![CAS 1261302-62-8 1,1,1-trifluoro-N-[(11bR)-8,9,10,11,12,13,14,15-octahydro-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/2023/05/1261302-62-8.gif)
CAS RN: 1261302-62-8
1,1,1-trifluoro-N-[(11bR)-8,9,10,11,12,13,14,15-octahydro-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.
4 package records1 with current stock1 grade group
- Product code: starshine_CAS1261302-62-8
- Purity/Analytical Methods: >99.0%
1261302-62-8 / 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(23),2,8,10,15,17-hexaen-13-yl)methanesulfonamide
Basic Information
CAS
1261302-62-8
Multi CAS
No
Molecular Formula
C33H29F3NO5PS
Molecular Weight
639.600000
Exact Mass
639.145616
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC=CC=C6)NS(=O)(=O)C(F)(F)F)C7=CC=CC=C7
InChI
InChI=1S/C33H29F3NO5PS/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/h1-6,11-14,19-20H,7-10,15-18H2,(H,37,38)
InChIKey
ALWDURQAZSINGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
163.01
TPSA
81.7
LogP / Solubility
WLOGP
8.76
MLOGP
7.76
XLogP3
9.3
Consensus LogP
8.61
Log S (ESOL)
-9.47
Class (ESOL)
Insoluble
Log S (Ali)
-11.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.57
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)
-0.4
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
Customers Also Viewed
-
![CAS 1261302-63-9 N-[(11bR)-2,6-Bis([1,1′-biphenyl]-4-yl)-8,9,10,11,12,13,14,15-octahydro-4-oxidodinaphtho[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)
N-[(11bR)-2,6-Bis([1,1′-biphenyl]-4-yl)-8,9,10,11,12,13,14,15-octahydro-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide
- CAS RN: 1261302-63-9
- Product Code: starshine_CAS1261302-63-9
- Purity/Analytical method: >99.0%
-
N-[(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide
- CAS RN: 1261302-64-0
- Product Code: starshine_CAS1261302-64-0
- Purity/Analytical method: >99.0%
-
-
Ethanamine, 2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]-
- CAS RN: 1261350-60-0
- Product Code: SSC-032453
-
-
3-Methoxy-1,5-naphthyridine
- CAS RN: 1261365-35-8
- Product Code: starshine_CAS1261365-35-8
- Purity/Analytical method: >99.0%
![CAS 1261302-63-9 N-[(11bR)-2,6-Bis([1,1′-biphenyl]-4-yl)-8,9,10,11,12,13,14,15-octahydro-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261302-63-9.gif)
![CAS 1261302-64-0 N-[(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-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/2023/05/1261302-64-0.gif)
![CAS 1261350-60-0 Ethanamine, 2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261350-60-0.gif)
