2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid
TL;DR: 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid (CAS 364369-91-5) is a chemical compound with molecular formula C8H6O5 and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dihydroxyphenyl)-2-oxoacetic acid
Also Known As: 3,5-Dihydroxyphenylglyoxylate, 3,5-dihydroxyphenylglyoxylic acid, 2-(3,5-dihydroxyphenyl)-2-oxoacetic acid, 3,5-dihydroxyphe-nylglyoxylic acid, (3,5-Dihydroxyphenyl)oxoacetic acid
| Molecular Formula | C8H6O5 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.02153 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 364369-91-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1O)O)C(=O)C(=O)O |
| InChIKey | IXVSXZQERGYQTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid (CAS 364369-91-5), with molecular formula C8H6O5 and molecular weight 182.02 g/mol. IUPAC: 2-(3,5-dihydroxyphenyl)-2-oxoacetic acid.
Chemical Property Profile of 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid
Property Insights of 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid. Following Lipinski's Rule of Five, 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid has 3 hydrogen bond donor(s) and 5 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-(3,5-Dihydroxyphenyl)-2-oxoacetic acid?
The CAS number of 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid is 364369-91-5.
What is the molecular formula of 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid?
The molecular formula of 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid is C8H6O5.
What is the molecular weight of 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid?
The molecular weight of 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid is 182.02 g/mol.
Where can I buy 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid?
You can request a quote for 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dihydroxyphenyl)-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.