CAS RN: 83725-24-0
PoMolic acid 28-O-beta-D-glucopyranosyl ester
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.20250323 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS83725-24-0
- Purity/Analytical Methods: >99.0%
83725-24-0 / [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Basic Information
CAS
83725-24-0
Multi CAS
Yes
Molecular Formula
C36H58O9
Molecular Weight
634.800000
Exact Mass
634.408083
InChI
InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1
InChIKey
RRIMLWHUVCZACL-HPUCWRFUSA-N
Physical Properties
Melting Point
279 - 280 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
45
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
6
Molar refractivity
166.29
TPSA
156.91
LogP / Solubility
WLOGP
3.46
MLOGP
3.1
XLogP3
4.1
Consensus LogP
3.55
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
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)
-4.13
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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