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CAS 934739-29-4 Karavilagenin D molecular structure lightbox
CAS RN: 934739-29-4

Karavilagenin D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS934739-29-4
  • Purity/Analytical Methods: >99.0%
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934739-29-4 / (1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one

Standard CAS: 934739-29-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
934739-29-4
Multi CAS
Yes
Molecular Formula
C30H46O4
Molecular Weight
470.700000
Exact Mass
470.339610
InChI
InChI=1S/C30H46O4/c1-19(9-8-14-25(2,3)33)20-12-15-28(7)21-13-16-30-22(10-11-23(31)26(30,4)5)29(21,24(32)34-30)18-17-27(20,28)6/h8,13-14,16,19-23,31,33H,9-12,15,17-18H2,1-7H3/b14-8+/t19-,20-,21+,22+,23+,27-,28+,29+,30-/m1/s1
InChIKey
CUJVAMKVNDHSSR-DLGSBZDHSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
133.79
TPSA
66.76

LogP / Solubility

WLOGP
5.82
MLOGP
5.16
XLogP3
5.9
Consensus LogP
5.63
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
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)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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