2-羟基扁桃酸
TL;DR: 2-羟基扁桃酸 (CAS 21731-17-9) is a chemical compound with molecular formula C8H7O4- and molecular weight 167.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基扁桃酸
2-hydroxy-2-(2-hydroxyphenyl)acetate
Also Known As: 2-Hydroxymandelic acid, ortho-Hydroxymandelic acid, 2-hydroxy-2-(2-hydroxyphenyl)acetate, hydroxy(2-hydroxyphenyl)acetate, alpha,2-Dihydroxybenzeneacetic acid, ion(1-)
| Molecular Formula | C8H7O4- |
|---|---|
| Molecular Weight | 167.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.03444 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 21731-17-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C(=O)[O-])O)O |
| InChIKey | TWLSOWAQVSIFIF-UHFFFAOYSA-M |
Product Overview
2-羟基扁桃酸 (CAS 21731-17-9), with molecular formula C8H7O4- and molecular weight 167.03 g/mol. IUPAC: 2-hydroxy-2-(2-hydroxyphenyl)acetate.
Chemical Property Profile of 2-羟基扁桃酸
Property Insights of 2-羟基扁桃酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基扁桃酸. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羟基扁桃酸. Following Lipinski's Rule of Five, 2-羟基扁桃酸 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-羟基扁桃酸?
The CAS number of 2-羟基扁桃酸 is 21731-17-9.
What is the molecular formula of 2-羟基扁桃酸?
The molecular formula of 2-羟基扁桃酸 is C8H7O4-.
What is the molecular weight of 2-羟基扁桃酸?
The molecular weight of 2-羟基扁桃酸 is 167.03 g/mol.
Where can I buy 2-羟基扁桃酸?
You can request a quote for 2-羟基扁桃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基扁桃酸?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基扁桃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.