酞酮酸
TL;DR: 酞酮酸 (CAS 528-46-1) is a chemical compound with molecular formula C9H6O5 and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酞酮酸
2-oxalobenzoic acid
Also Known As: 2-(carboxycarbonyl)benzoic acid, 2-oxalobenzoic acid, PHTHALONIC ACID, phthalonicacid, Phthalonsaure
| Molecular Formula | C9H6O5 |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.02153 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 528-46-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C(=O)O)C(=O)O |
| InChIKey | LFLOMAIEONDOLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酞酮酸 (CAS 528-46-1), with molecular formula C9H6O5 and molecular weight 194.02 g/mol. IUPAC: 2-oxalobenzoic acid.
Chemical Property Profile of 酞酮酸
Property Insights of 酞酮酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 酞酮酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 酞酮酸. Following Lipinski's Rule of Five, 酞酮酸 has 2 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 酞酮酸?
The CAS number of 酞酮酸 is 528-46-1.
What is the molecular formula of 酞酮酸?
The molecular formula of 酞酮酸 is C9H6O5.
What is the molecular weight of 酞酮酸?
The molecular weight of 酞酮酸 is 194.02 g/mol.
Where can I buy 酞酮酸?
You can request a quote for 酞酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酞酮酸?
Yes, KEHONG BIO provides custom synthesis services for 酞酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.