3-Hydroxyphthalic acid
TL;DR: 3-Hydroxyphthalic acid (CAS 601-97-8) 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.
3-hydroxyphthalic acid
Also Known As: 3-Hydroxyphthalic acid, 3-hydroxyphthalate, Phthalic acid, 3-hydroxy-, 3-Hydroxyphthalicacid, Aspirin Impurity 22
| Molecular Formula | C8H6O5 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 1.1 |
| 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 | 225.0 |
Chemical Identifiers
| CAS Number | 601-97-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)C(=O)O)C(=O)O |
| InChIKey | MNUOZFHYBCRUOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxyphthalic acid (CAS 601-97-8), with molecular formula C8H6O5 and molecular weight 182.02 g/mol. IUPAC: 3-hydroxyphthalic acid.
Chemical Property Profile of 3-Hydroxyphthalic acid
Property Insights of 3-Hydroxyphthalic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyphthalic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyphthalic acid. Following Lipinski's Rule of Five, 3-Hydroxyphthalic 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 3-Hydroxyphthalic acid?
The CAS number of 3-Hydroxyphthalic acid is 601-97-8.
What is the molecular formula of 3-Hydroxyphthalic acid?
The molecular formula of 3-Hydroxyphthalic acid is C8H6O5.
What is the molecular weight of 3-Hydroxyphthalic acid?
The molecular weight of 3-Hydroxyphthalic acid is 182.02 g/mol.
Where can I buy 3-Hydroxyphthalic acid?
You can request a quote for 3-Hydroxyphthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyphthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.