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CAS 5092-09-1 saikogenin A molecular structure lightbox
CAS RN: 5092-09-1

saikogenin A

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5 package records3 with current stock2 grade groups
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Batchno.20250526 5mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS5092-09-1
  • Purity/Analytical Methods: >99.0%
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5092-09-1 / (3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol

Standard CAS: 5092-09-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5092-09-1
Multi CAS
Yes
Molecular Formula
C30H48O4
Molecular Weight
472.700000
Exact Mass
472.355260
InChI
InChI=1S/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3/t21-,22-,23+,24+,26+,27+,28-,29-,30-/m1/s1
InChIKey
QGNVMEXLLPGQEV-HSFRRAFJSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
134.91
TPSA
80.92

LogP / Solubility

WLOGP
5
MLOGP
4.44
XLogP3
5.8
Consensus LogP
5.08
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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