Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-
TL;DR: Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy- (CAS 69352-78-9) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dimethyl-4-oxo-1H-cinnolin-3-yl)acetic acid
Also Known As: 2-(4-nitrophenyl)propanoic acid, 6,7-Dimethyl-4-hydroxycinnoline-3-acetic acid, CINNOLINE-3-ACETIC ACID, 6,7-DIMETHYL-4-HYDROXY-, 2-(4-Hydroxy-6,7-dimethylcinnolin-3-yl)acetic acid, 2-(6,7-dimethyl-4-oxo-1H-cinnolin-3-yl)acetic acid
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 69352-78-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NN=C(C2=O)CC(=O)O |
| InChIKey | YAULJBNDKJVNGV-UHFFFAOYSA-N |
Product Overview
Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy- (CAS 69352-78-9), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 2-(6,7-dimethyl-4-oxo-1H-cinnolin-3-yl)acetic acid.
Chemical Property Profile of Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-
Property Insights of Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-. Following Lipinski's Rule of Five, Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy- 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 Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-?
The CAS number of Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy- is 69352-78-9.
What is the molecular formula of Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-?
The molecular formula of Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy- is C12H12N2O3.
What is the molecular weight of Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-?
The molecular weight of Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy- is 232.08 g/mol.
Where can I buy Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-?
You can request a quote for Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Cinnoline-3-acetic acid, 6,7-dimethyl-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.