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CAS 156338-93-1 11-Anhydro-16-oxoalisol A molecular structure lightbox
CAS RN: 156338-93-1

11-Anhydro-16-oxoalisol A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS156338-93-1
  • Purity/Analytical Methods: >99.0%
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156338-93-1 / (5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione

Standard CAS: 156338-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156338-93-1
Multi CAS
No
Molecular Formula
C30H46O5
Molecular Weight
486.700000
Exact Mass
486.334525
SMILES
C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C=C[C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1=O)C)C)(C)C)C
InChI
InChI=1S/C30H46O5/c1-17(15-19(31)25(34)27(4,5)35)24-18-9-10-22-28(6)13-12-23(33)26(2,3)21(28)11-14-29(22,7)30(18,8)16-20(24)32/h9-10,17,19,21-22,25,31,34-35H,11-16H2,1-8H3/t17-,19+,21+,22+,25-,28+,29+,30+/m1/s1
InChIKey
PGQUPZCFLHXEHV-UKRPUCOJSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
136.44
TPSA
94.83

LogP / Solubility

WLOGP
4.78
MLOGP
4.24
XLogP3
3.9
Consensus LogP
4.31
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.39
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)
-2.3

Drug-likeness / Medicinal Chemistry

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

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