3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
TL;DR: 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CAS 861212-63-7) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)-4-oxophthalazine-1-carboxylic acid
Also Known As: 3P-687S, 3-(3,4-dimethylphenyl)-4-oxophthalazine-1-carboxylic acid, 3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid, 3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid, 3-(3,4-dimethylphenyl)-4-oxo-1-phthalazinecarboxylic acid
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.70074 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 957.76556 |
Chemical Identifiers
| CAS Number | 861212-63-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C |
Product Overview
3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CAS 861212-63-7), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: 3-(3,4-dimethylphenyl)-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
Property Insights of 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
The XLogP value of 2.70074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid has 1 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 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The CAS number of 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is 861212-63-7.
What is the molecular formula of 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The molecular formula of 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is C17H14N2O3.
What is the molecular weight of 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The molecular weight of 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is 294.10 g/mol.
Where can I buy 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
You can request a quote for 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.