CAS RN: 62369-72-6
2α,3β,23-Trihydroxyolean-12-en-28-oic acid β-D-glucopyranosyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250408 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS62369-72-6
- Purity/Analytical Methods: >99.0%
62369-72-6 / [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Basic Information
CAS
62369-72-6
Multi CAS
Yes
Molecular Formula
C36H58O10
Molecular Weight
650.800000
Exact Mass
650.402998
InChI
InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(42)26(41)25(40)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(43)33(4,18-38)23(32)9-10-35(24,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1
InChIKey
CJHYKSSBQRABTM-XJWBRSAFSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
7
Molar refractivity
167.71
TPSA
177.14
LogP / Solubility
WLOGP
2.44
MLOGP
2.2
XLogP3
4
Consensus LogP
2.88
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
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
No
Log Kp (skin permeation)
-4.96
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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