3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-
TL;DR: 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- (CAS 734-80-5) is a chemical compound with molecular formula C15H10N2O3 and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1-phenylcinnoline-3-carboxylic acid
Also Known As: 4-Oxo-1-phenylcinnolin-3- carboxylic acid, 4-oxo-1-phenylcinnoline-3-carboxylic acid, 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-, 1,4-dihydro-4-oxo-1-phenyl-3-cinnolinecarboxylic acid, 4-Oxo-1-phenyl-1,4-dihydro-3-cinnolinecarboxylic acid
| Molecular Formula | C15H10N2O3 |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.06915 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 734-80-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C(=N2)C(=O)O |
| InChIKey | KLSYUBKXGGSKAB-UHFFFAOYSA-N |
Product Overview
3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- (CAS 734-80-5), with molecular formula C15H10N2O3 and molecular weight 266.07 g/mol. IUPAC: 4-oxo-1-phenylcinnoline-3-carboxylic acid.
Chemical Property Profile of 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-
Property Insights of 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-
The XLogP value of 3.5 indicates that 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-. Following Lipinski's Rule of Five, 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- has 1 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-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
The CAS number of 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- is 734-80-5.
What is the molecular formula of 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
The molecular formula of 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- is C15H10N2O3.
What is the molecular weight of 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
The molecular weight of 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- is 266.07 g/mol.
Where can I buy 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
You can request a quote for 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cinnolinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.