5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid
TL;DR: 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid (CAS 59187-57-4) is a chemical compound with molecular formula C15H9ClN2O4 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid
Also Known As: 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid, 5-Chloro-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)benzoic acid
| Molecular Formula | C15H9ClN2O4 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0251 |
| Heavy Atoms | 22 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 59187-57-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=O)N2)C3=C(C=C(C=C3)Cl)C(=O)O |
| InChIKey | QEGUGEXPCYGYDS-UHFFFAOYSA-N |
Product Overview
5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid (CAS 59187-57-4), with molecular formula C15H9ClN2O4 and molecular weight 316.03 g/mol. IUPAC: 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid.
Chemical Property Profile of 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid
Property Insights of 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid. Following Lipinski's Rule of Five, 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid 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 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid?
The CAS number of 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid is 59187-57-4.
What is the molecular formula of 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid?
The molecular formula of 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid is C15H9ClN2O4.
What is the molecular weight of 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid?
The molecular weight of 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid is 316.03 g/mol.
Where can I buy 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid?
You can request a quote for 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.