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CAS 30452-60-9 CycloMusalenone molecular structure lightbox
CAS RN: 30452-60-9

CycloMusalenone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS30452-60-9
  • Purity/Analytical Methods: >99.0%
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30452-60-9 / 15-(5,6-dimethylhept-6-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

Standard CAS: 30452-60-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30452-60-9
Multi CAS
Yes
Molecular Formula
C30H48O
Molecular Weight
424.700000
Exact Mass
424.370516
InChI
InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-24,26H,1,8-18H2,2-7H3
InChIKey
RCXORQWZHHYMBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
129.65
TPSA
17.07

LogP / Solubility

WLOGP
8.23
MLOGP
7.27
XLogP3
9.7
Consensus LogP
8.4
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-8.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.85
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)
0.53

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
10

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