CAS RN: 32142-31-7
Vanillic acid 4-β-D-glucopyranoside
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250803 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS32142-31-7
- Purity/Analytical Methods: >99.0%
32142-31-7 / 3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Basic Information
CAS
32142-31-7
Multi CAS
Yes
Molecular Formula
C14H18O9
Molecular Weight
330.290000
Exact Mass
330.095082
InChI
InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1
InChIKey
JYFOSWJYZIVJPO-YGEZULPYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
5
Molar refractivity
74.35
TPSA
145.91
LogP / Solubility
WLOGP
-1.43
MLOGP
-1.24
XLogP3
-1.5
Consensus LogP
-1.39
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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