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CAS 169326-06-1 16,23-Oxidoalisol B molecular structure lightbox
CAS RN: 169326-06-1

16,23-Oxidoalisol B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS169326-06-1
  • Purity/Analytical Methods: >99.0%
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169326-06-1 / (1S,2R,4S,6S,8R,12S,13S,14S,19R)-6-[(2R)-3,3-dimethyloxiran-2-yl]-12-hydroxy-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-17-one

Standard CAS: 169326-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169326-06-1
Multi CAS
No
Molecular Formula
C30H46O4
Molecular Weight
470.700000
Exact Mass
470.339610
SMILES
C[C@@H]1C[C@H](O[C@@H]2C1=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(C2)C)C)(C)C)C)O)[C@@H]6C(O6)(C)C
InChI
InChI=1S/C30H46O4/c1-16-13-19(25-27(4,5)34-25)33-20-15-30(8)17(23(16)20)14-18(31)24-28(6)11-10-22(32)26(2,3)21(28)9-12-29(24,30)7/h16,18-21,24-25,31H,9-15H2,1-8H3/t16-,18+,19+,20+,21+,24+,25-,28+,29+,30+/m1/s1
InChIKey
ZMEUSLGYHAOCDR-SLGDLKFASA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
132.22
TPSA
59.06

LogP / Solubility

WLOGP
5.86
MLOGP
5.19
XLogP3
4.5
Consensus LogP
5.18
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.7
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)
-1.43

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
9

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