CAS RN: 69297-40-1
3-beta-O-(cis-p-Coumaroyl)maslinic 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.20250726 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS69297-40-1
- Purity/Analytical Methods: >99.0%
69297-40-1 / (4aS,6aS,6bR,10R,11R,12aR)-11-hydroxy-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Basic Information
CAS
69297-40-1
Multi CAS
Yes
Molecular Formula
C39H54O6
Molecular Weight
618.800000
Exact Mass
618.392039
InChI
InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-/t27?,28-,29?,30?,32+,36+,37-,38-,39+/m1/s1
InChIKey
KWLOAKAXMOYBRK-CHKQEWQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
175.09
TPSA
104.06
LogP / Solubility
WLOGP
8.17
MLOGP
7.24
XLogP3
8.8
Consensus LogP
8.07
Log S (ESOL)
-8.66
Class (ESOL)
Insoluble
Log S (Ali)
-10.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.69
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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