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CAS 24352-51-0 3,5-Cycloergosta-6,8(14),22-triene molecular structure lightbox
CAS RN: 24352-51-0

3,5-Cycloergosta-6,8(14),22-triene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS24352-51-0
  • Purity/Analytical Methods: >99.0%
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24352-51-0 / 14-(5,6-dimethylhept-3-en-2-yl)-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadeca-8,10-diene

Standard CAS: 24352-51-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24352-51-0
Multi CAS
No
Molecular Formula
C28H42
Molecular Weight
378.600000
Exact Mass
378.328651
SMILES
CC(C)C(C)C=CC(C)C1CCC2=C3C=CC45CC4CCC5(C3CCC12C)C
InChI
InChI=1S/C28H42/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28-17-21(28)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12,16,18-21,23,25H,9-11,13-15,17H2,1-6H3
InChIKey
IESQYBPJTJOIEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.79
Rotatable bonds
4
Molar refractivity
119.91
TPSA
0.0000

LogP / Solubility

WLOGP
7.97
MLOGP
7.03
XLogP3
8.5
Consensus LogP
7.83
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.22
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)
0.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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