![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 RN: 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
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.20251118 | 100mg | In stock | Shenzhen, Wuhan | Inquiry | |
| Batchno.20260603 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260501 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20251024 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251115 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS1261302-63-9
- Purity/Analytical Methods: >99.0%
1261302-63-9 / 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),2,8,10,16-pentaen-13-yl]methanesulfonamide
Basic Information
CAS
1261302-63-9
Multi CAS
No
Molecular Formula
C45H39F3NO5PS
Molecular Weight
793.800000
Exact Mass
793.223866
SMILES
C1CCC2C(C1)C=C(C3=C2C4=C5CCCCC5=CC(=C4OP(=O)(O3)NS(=O)(=O)C(F)(F)F)C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9
InChI
InChI=1S/C45H39F3NO5PS/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/h1-6,11-14,19-28,35,37H,7-10,15-18H2,(H,49,50)
InChIKey
QYIBBZYFKNXDKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
30
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
213.61
TPSA
81.7
LogP / Solubility
WLOGP
12.14
MLOGP
10.75
XLogP3
11.8
Consensus LogP
11.56
Log S (ESOL)
-12.41
Class (ESOL)
Insoluble
Log S (Ali)
-14.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.61
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)
1.06
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
8.5
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![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)
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