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CAS 851983-85-2 Galeterone molecular structure lightbox
CAS RN: 851983-85-2

Galeterone

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4 package records0 with current stock1 grade group
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Batchno.20260228 100mg Out of stock Inquiry
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  • Product code: starshine_CAS851983-85-2
  • Purity/Analytical Methods: >99.0%
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851983-85-2 / (3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 851983-85-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
851983-85-2
Multi CAS
Yes
Molecular Formula
C26H32N2O
Molecular Weight
388.500000
Exact Mass
388.251464
InChI
InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
InChIKey
PAFKTGFSEFKSQG-PAASFTFBSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117.1
TPSA
38.05

LogP / Solubility

WLOGP
5.81
MLOGP
5.14
XLogP3
5.2
Consensus LogP
5.38
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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