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CAS 64998-19-2 7alpha-Hydroxystigmasterol molecular structure lightbox
CAS RN: 64998-19-2

7alpha-Hydroxystigmasterol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS64998-19-2
  • Purity/Analytical Methods: >99.0%
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64998-19-2 / (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

Standard CAS: 64998-19-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64998-19-2
Multi CAS
Yes
Molecular Formula
C29H48O2
Molecular Weight
428.700000
Exact Mass
428.365431
InChI
InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1
InChIKey
DPNNWDOFSGOYEK-KQASBSEXSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
129.51
TPSA
40.46

LogP / Solubility

WLOGP
6.77
MLOGP
5.99
XLogP3
7.4
Consensus LogP
6.72
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.67
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)
-0.53

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
8

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