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CAS 2565792-86-9 (R)-N-((R)-(3,5-Bis(trifluoromethyl)phenyl)(2-(dicyclohexylphosphanyl)phenyl)methyl)-N,2-dimethylpropane-2-sulfinamide molecular structure lightbox
CAS RN: 2565792-86-9

(R)-N-((R)-(3,5-Bis(trifluoromethyl)phenyl)(2-(dicyclohexylphosphanyl)phenyl)methyl)-N,2-dimethylpropane-2-sulfinamide

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Batchno.20260515 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
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2565792-86-9 / (R)-N-[(R)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide

MFCD32697209 | (R)-N-[(R)-[3,5-Bis(trifluoromethyl)phenyl][2-(dicyclohexylphosphino)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide | [S(R)]-N-[(R)-3,5-bis(trifluoromethyl)phenyl][2-(dicyclohexylphosphanyl)phenyl]-N,2-dimethyl-2-propanesulfinamide, 95%

Standard CAS: 2565792-86-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2565792-86-9
Multi CAS
Yes
Molecular Formula
C32F6H42NOPS
Molecular Weight
633.700000
Exact Mass
633.262892
SMILES
CC(C)(C)S(=O)N(C)C(C1=CC=CC=C1P(C2CCCCC2)C3CCCCC3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C32H42F6NOPS/c1-30(2,3)42(40)39(4)29(22-19-23(31(33,34)35)21-24(20-22)32(36,37)38)27-17-11-12-18-28(27)41(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h11-12,17-21,25-26,29H,5-10,13-16H2,1-4H3/t29-,42-/m1/s1
InChIKey
YEPMBIRTVRUNCS-LIIBOVGXSA-N
Synonyms
MFCD32697209 (R)-N-[(R)-[3,5-Bis(trifluoromethyl)phenyl][2-(dicyclohexylphosphino)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide [S(R)]-N-[(R)-3,5-bis(trifluoromethyl)phenyl][2-(dicyclohexylphosphanyl)phenyl]-N,2-dimethyl-2-propanesulfinamide, 95% [S(R)]-N-[(R)-3,5-Bis(trifluoromethyl)phenyl][2-(dicyclohexylphosphanyl)phenyl]-N,2-dimethyl-2-propanesulfinamide C32H42F6NOPS

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
160.69
TPSA
20.31

LogP / Solubility

WLOGP
9.98
MLOGP
8.83
XLogP3
9
Consensus LogP
9.27
Log S (ESOL)
-9.81
Class (ESOL)
Insoluble
Log S (Ali)
-11.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.5

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
5.5

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