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CAS 1227374-66-4 1,1,1-trifluoro-N-[(11bR)-8,9,10,11,12,13,14,15-octahydro-2,6-di-1-naphthalenyl-8-oxidodinaphtho[2,1-d:1′,2’f][1,3,2]dioxaphosphepin-4-yl]-Methanesulfonamide molecular structure lightbox
CAS RN: 1227374-66-4

1,1,1-trifluoro-N-[(11bR)-8,9,10,11,12,13,14,15-octahydro-2,6-di-1-naphthalenyl-8-oxidodinaphtho[2,1-d:1′,2’f][1,3,2]dioxaphosphepin-4-yl]-Methanesulfonamide

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260403 100mg Out of stock Inquiry
Batchno.20260213 1g In stock Tianjin Inquiry
Batchno.20260118 250mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250214 50mg Out of stock Inquiry
  • Product code: starshine_CAS1227374-66-4
  • Purity/Analytical Methods: >99.0%
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1227374-66-4 / N-(10,16-dinaphthalen-1-yl-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

Standard CAS: 1227374-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227374-66-4
Multi CAS
No
Molecular Formula
C41H33F3NO5PS
Molecular Weight
739.700000
Exact Mass
739.176916
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC=CC7=CC=CC=C76)NS(=O)(=O)C(F)(F)F)C8=CC=CC9=CC=CC=C98
InChI
InChI=1S/C41H33F3NO5PS/c42-41(43,44)52(47,48)45-51(46)49-39-35(33-21-9-15-25-11-1-5-17-29(25)33)23-27-13-3-7-19-31(27)37(39)38-32-20-8-4-14-28(32)24-36(40(38)50-51)34-22-10-16-26-12-2-6-18-30(26)34/h1-2,5-6,9-12,15-18,21-24H,3-4,7-8,13-14,19-20H2,(H,45,46)
InChIKey
FNYREDFIGSKWPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
32
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
198.02
TPSA
81.7

LogP / Solubility

WLOGP
11.07
MLOGP
9.81
XLogP3
11.8
Consensus LogP
10.89
Log S (ESOL)
-11.59
Class (ESOL)
Insoluble
Log S (Ali)
-13.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.14
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)
0.63

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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