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CAS 173268-82-1 Ganolactone A molecular structure lightbox
CAS RN: 173268-82-1

Ganolactone A

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250323 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS173268-82-1
  • Purity/Analytical Methods: >99.0%
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173268-82-1 / (5R,7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione

Standard CAS: 173268-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173268-82-1
Multi CAS
No
Molecular Formula
C27H36O6
Molecular Weight
456.600000
Exact Mass
456.251189
SMILES
C[C@]12CCC(=O)C([C@@H]1C[C@@H](C3=C2C(=O)C[C@]4([C@]3(C(=O)C[C@@H]4[C@@]5(CCC(=O)O5)C)C)C)O)(C)C
InChI
InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3/t14-,16-,17-,24-,25+,26-,27-/m0/s1
InChIKey
NEYFZTSOEPMHGQ-YSROOBRHSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
119.95
TPSA
97.74

LogP / Solubility

WLOGP
3.73
MLOGP
3.31
XLogP3
1.6
Consensus LogP
2.88
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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