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CAS 496801-51-5 OH-C-Chol molecular structure lightbox
CAS RN: 496801-51-5

OH-C-Chol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 500μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS496801-51-5
  • Purity/Analytical Methods: >99.0%
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496801-51-5 / [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-(2-hydroxyethylamino)ethyl]carbamate

Standard CAS: 496801-51-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
496801-51-5
Multi CAS
Yes
Molecular Formula
C32H56N2O3
Molecular Weight
516.800000
Exact Mass
516.429094
InChI
InChI=1S/C32H56N2O3/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-21-25(37-30(36)34-18-17-33-19-20-35)13-15-31(24,4)29(26)14-16-32(27,28)5/h9,22-23,25-29,33,35H,6-8,10-21H2,1-5H3,(H,34,36)/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
InChIKey
IVKGTZVIOSLOAM-PTHRTHQKSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.91
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
3
Molar refractivity
151.27
TPSA
70.59

LogP / Solubility

WLOGP
6.7
MLOGP
5.94
XLogP3
7.8
Consensus LogP
6.81
Log S (ESOL)
-6.54
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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