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CAS 154387-61-8 Finasteride Carboxaldehyde molecular structure lightbox
CAS RN: 154387-61-8

Finasteride Carboxaldehyde

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Batchno.20250907 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS154387-61-8
  • Purity/Analytical Methods: >99.0%
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154387-61-8 / (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-N-(2-methyl-1-oxopropan-2-yl)-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

Standard CAS: 154387-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154387-61-8
Multi CAS
No
Molecular Formula
C23H34N2O3
Molecular Weight
386.500000
Exact Mass
386.256943
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C=O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H34N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12-18H,5-9,11H2,1-4H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKey
GWKLHNVFRBYLTN-WSBQPABSSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
107.23
TPSA
75.27

LogP / Solubility

WLOGP
2.99
MLOGP
2.66
XLogP3
2.2
Consensus LogP
2.62
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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