C15H8ClFN2O4
TL;DR: C15H8ClFN2O4 (CAS 687580-06-9) is a chemical compound with molecular formula C15H8ClFN2O4 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
Also Known As: 3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid, F6548-2810, 3-(3-chloro-4-fluoro-phenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic Acid, 3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid, 3-(3-Chloro-4-fluorophenyl)-1,2,3,4-tetrahydro-2,4-dioxo-7-quinazolinecarboxylic acid
| Molecular Formula | C15H8ClFN2O4 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 2.1697 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.01566 |
| Heavy Atoms | 23 |
| Complexity | 1071.2405 |
Chemical Identifiers
| CAS Number | 687580-06-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)NC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl |
Product Overview
C15H8ClFN2O4 (CAS 687580-06-9), with molecular formula C15H8ClFN2O4 and molecular weight 334.02 g/mol. IUPAC: 3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of C15H8ClFN2O4
Property Insights of C15H8ClFN2O4
The XLogP value of 2.1697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H8ClFN2O4. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H8ClFN2O4. Following Lipinski's Rule of Five, C15H8ClFN2O4 has 2 hydrogen bond donor(s) and 3 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 C15H8ClFN2O4?
The CAS number of C15H8ClFN2O4 is 687580-06-9.
What is the molecular formula of C15H8ClFN2O4?
The molecular formula of C15H8ClFN2O4 is C15H8ClFN2O4.
What is the molecular weight of C15H8ClFN2O4?
The molecular weight of C15H8ClFN2O4 is 334.02 g/mol.
Where can I buy C15H8ClFN2O4?
You can request a quote for C15H8ClFN2O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H8ClFN2O4?
Yes, KEHONG BIO provides custom synthesis services for C15H8ClFN2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.