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CAS 63543-52-2 24,25-Epoxy-dammar-20(21)-en-3-one molecular structure lightbox
CAS RN: 63543-52-2

24,25-Epoxy-dammar-20(21)-en-3-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS63543-52-2
  • Purity/Analytical Methods: >99.0%
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63543-52-2 / (8R,9R,10R,14S,17S)-17-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 63543-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63543-52-2
Multi CAS
Yes
Molecular Formula
C30H48O2
Molecular Weight
440.700000
Exact Mass
440.365431
InChI
InChI=1S/C30H48O2/c1-19(9-12-25-27(4,5)32-25)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21?,22?,23-,25?,28+,29+,30-/m1/s1
InChIKey
HKRMRIDUAZDXGO-XGDKYGCGSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
131.33
TPSA
29.6

LogP / Solubility

WLOGP
7.75
MLOGP
6.85
XLogP3
8.4
Consensus LogP
7.67
Log S (ESOL)
-7.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
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)
0.1

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
7.5

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