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CAS 561-63-7 19-HYDROXYCHOLESTEROL molecular structure lightbox
CAS RN: 561-63-7

19-HYDROXYCHOLESTEROL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 1mg / 5mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS561-63-7
  • Purity/Analytical Methods: >99.0%
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561-63-7 / 10-(hydroxymethyl)-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 561-63-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
561-63-7
Multi CAS
Yes
Molecular Formula
C27H46O2
Molecular Weight
402.700000
Exact Mass
402.349781
InChI
InChI=1S/C27H46O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3
InChIKey
YRWIUNJQYGATHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.93
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
120.46
TPSA
40.46

LogP / Solubility

WLOGP
6.36
MLOGP
5.62
XLogP3
7.3
Consensus LogP
6.43
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.66

Drug-likeness / Medicinal Chemistry

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

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