CAS RN: 638-97-1
18BETA(H)-OLEAN-12-EN-3-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251202 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS638-97-1
- Purity/Analytical Methods: >99.0%
638-97-1 / 4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
Basic Information
CAS
638-97-1
Multi CAS
Yes
Molecular Formula
C30H48O
Molecular Weight
424.700000
Exact Mass
424.370516
InChI
InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-23H,10-19H2,1-8H3
InChIKey
LIIFBMGUDSHTOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.9
H-bond acceptors
1
Molar refractivity
129.72
TPSA
17.07
LogP / Solubility
WLOGP
8.38
MLOGP
7.4
XLogP3
8.8
Consensus LogP
8.19
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.37
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)
0.64
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
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![CAS 641-38-3 3,7,9-TRIHYDROXY-1-METHYL-6H-DIBENZO[B,D]PYRAN-6-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/641-38-3.gif)