CAS RN: 7695-70-7
Salicylic Acid b-D-O-Glucuronide
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.20260118 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7695-70-7
- Purity/Analytical Methods: >99.0%
7695-70-7 / (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Basic Information
CAS
7695-70-7
Multi CAS
Yes
Molecular Formula
C13H14O9
Molecular Weight
314.240000
Exact Mass
314.063782
InChI
InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1
InChIKey
JSCWDKKMLIQCMR-CDHFTJPESA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
5
Molar refractivity
68.35
TPSA
153.75
LogP / Solubility
WLOGP
-1.34
MLOGP
-1.17
XLogP3
-0.5
Consensus LogP
-1
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
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)
-5.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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