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CAS 481-19-6 7-dehydrostigmasterol molecular structure lightbox
CAS RN: 481-19-6

7-dehydrostigmasterol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS481-19-6
  • Purity/Analytical Methods: >99.0%
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481-19-6 / 17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 481-19-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
481-19-6
Multi CAS
Yes
Molecular Formula
C29H46O
Molecular Weight
410.700000
Exact Mass
410.354866
InChI
InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3
InChIKey
OQMZNAMGEHIHNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.79
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
128.1
TPSA
20.23

LogP / Solubility

WLOGP
7.72
MLOGP
6.82
XLogP3
8
Consensus LogP
7.51
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
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)
0.26

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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