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CAS 96574-03-7 3beta-Hydroxylanosta-8,24-diene-21-al molecular structure lightbox
CAS RN: 96574-03-7

3beta-Hydroxylanosta-8,24-diene-21-al

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS96574-03-7
  • Purity/Analytical Methods: >99.0%
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96574-03-7 / (2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enal

Standard CAS: 96574-03-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96574-03-7
Multi CAS
Yes
Molecular Formula
C30H48O2
Molecular Weight
440.700000
Exact Mass
440.365431
InChI
InChI=1S/C30H48O2/c1-20(2)9-8-10-21(19-31)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22+,25?,26-,28+,29+,30-/m0/s1
InChIKey
BDXXTCGLJBYHHM-MSEDFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
133.27
TPSA
37.3

LogP / Solubility

WLOGP
7.66
MLOGP
6.77
XLogP3
7.4
Consensus LogP
7.28
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.48
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)
0.03

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
6.5

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