CAS RN: 69322-01-6
sodium 4-hydroxyphenylglycolate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS69322-01-6
- Purity/Analytical Methods: >99.0%
69322-01-6 / sodium 2-hydroxy-2-(4-hydroxyphenyl)acetate
Basic Information
CAS
69322-01-6
Multi CAS
Yes
Molecular Formula
C8H7NAO4
Molecular Weight
190.130000
Exact Mass
190.024203
InChI
InChI=1S/C8H8O4.Na/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);/q;+1/p-1
InChIKey
HPQVZCCKGRTPLU-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.07
TPSA
80.59
LogP / Solubility
WLOGP
-3.82
MLOGP
-3.36
XLogP3
-3.82
Consensus LogP
-3.67
Log S (ESOL)
1.18
Class (ESOL)
Highly soluble
Log S (Ali)
1.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.04
Class (SILICOS-IT)
Highly 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)
-6.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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