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CAS 912329-03-4 Karavilagenin A molecular structure lightbox
CAS RN: 912329-03-4

Karavilagenin A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS912329-03-4
  • Purity/Analytical Methods: >99.0%
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912329-03-4 / (3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 912329-03-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
912329-03-4
Multi CAS
Yes
Molecular Formula
C32H54O3
Molecular Weight
486.800000
Exact Mass
486.407296
InChI
InChI=1S/C32H54O3/c1-21(12-11-16-28(2,3)35-10)22-15-17-32(8)27-25(34-9)20-24-23(13-14-26(33)29(24,4)5)30(27,6)18-19-31(22,32)7/h11,16,20-23,25-27,33H,12-15,17-19H2,1-10H3/b16-11+/t21-,22-,23-,25+,26+,27-,30+,31-,32+/m1/s1
InChIKey
OJXKMMLNVLFMJM-QTACYZFBSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
145.17
TPSA
38.69

LogP / Solubility

WLOGP
7.58
MLOGP
6.71
XLogP3
7.3
Consensus LogP
7.2
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-9.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
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)
-0.3

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
7.5

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