CAS RN: 87355-32-6
Lupeolic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251219 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS87355-32-6
- Purity/Analytical Methods: >99.0%
87355-32-6 / (1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-hydroxy-3a,5a,5b,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
Basic Information
CAS
87355-32-6
Multi CAS
Yes
Molecular Formula
C30H48O3
Molecular Weight
456.700000
Exact Mass
456.360345
InChI
InChI=1S/C30H48O3/c1-18(2)19-10-13-26(3)16-17-28(5)20(24(19)26)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22+,23+,24+,26+,27+,28+,29+,30+/m0/s1
InChIKey
NYJYXELDYSTZFI-XSDHLHMPSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
132.61
TPSA
57.53
LogP / Solubility
WLOGP
7.09
MLOGP
6.27
XLogP3
9.1
Consensus LogP
7.49
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.75
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)
-0.47
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
9
Customers Also Viewed
-
-
-
-
-
-
Dehydronitrosonisoldipine
- CAS RN: 87375-91-5
- Product Code: starshine_CAS87375-91-5
- Purity/Analytical method: >99.0%
