3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid
TL;DR: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid (CAS 55974-86-2) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid
Also Known As: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid, 3-(6-Ethyl-4-oxo-1,4-dihydrocinnolin-3-yl)propanoic acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 55974-86-2 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)NN=C(C2=O)CCC(=O)O |
| InChIKey | SMEWAPAUGYJGMP-UHFFFAOYSA-N |
Product Overview
3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid (CAS 55974-86-2), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid.
Chemical Property Profile of 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid
Property Insights of 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid 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 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid?
The CAS number of 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid is 55974-86-2.
What is the molecular formula of 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid?
The molecular formula of 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid is C13H14N2O3.
What is the molecular weight of 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid?
The molecular weight of 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid is 246.10 g/mol.
Where can I buy 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid?
You can request a quote for 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.