![CAS 2757287-65-1 Methanesulfonamide, N-[(11bR)-2,6-bis(3,5-dimethylphenyl)-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- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757287-65-1.gif)
CAS RN: 2757287-65-1
Methanesulfonamide, N-[(11bR)-2,6-bis(3,5-dimethylphenyl)-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-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250214 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250616 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250419 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260609 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260106 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757287-65-1
- Purity/Analytical Methods: >99.0%
2757287-65-1 / N-[10,16-bis(3,5-dimethylphenyl)-13-oxo-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]-1,1,1-trifluoromethanesulfonamide
Basic Information
CAS
2757287-65-1
Multi CAS
No
Molecular Formula
C37H37F3NO5PS
Molecular Weight
695.700000
Exact Mass
695.208216
SMILES
CC1=CC(=CC(=C1)C2=C3C(=C4CCCCC4=C2)C5=C6CCCCC6=CC(=C5OP(=O)(O3)NS(=O)(=O)C(F)(F)F)C7=CC(=CC(=C7)C)C)C
InChI
InChI=1S/C37H37F3NO5PS/c1-21-13-22(2)16-27(15-21)31-19-25-9-5-7-11-29(25)33-34-30-12-8-6-10-26(30)20-32(28-17-23(3)14-24(4)18-28)36(34)46-47(42,45-35(31)33)41-48(43,44)37(38,39)40/h13-20H,5-12H2,1-4H3,(H,41,42)
InChIKey
XWAKVWWNELAZKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
24
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
181.95
TPSA
81.7
LogP / Solubility
WLOGP
10
MLOGP
8.86
XLogP3
10.8
Consensus LogP
9.89
Log S (ESOL)
-10.56
Class (ESOL)
Insoluble
Log S (Ali)
-12.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.96
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)
0.13
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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