3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid
TL;DR: 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid (CAS 16065-89-7) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-oxophthalazine-1-carboxylic acid
Also Known As: 3-Methyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid, 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid, ChemDiv3_004003, 3-methyl-4-oxophthalazine-1-carboxylic acid, 3-(1H-pyrazol-1-yl)aniline
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 16065-89-7 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O |
| InChIKey | ZUEDIBGIVDXMLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid (CAS 16065-89-7), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 3-methyl-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid
Property Insights of 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid. Following Lipinski's Rule of Five, 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid has 1 hydrogen bond donor(s) and 4 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-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid?
The CAS number of 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid is 16065-89-7.
What is the molecular formula of 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid?
The molecular formula of 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid is C10H8N2O3.
What is the molecular weight of 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid?
The molecular weight of 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid is 204.05 g/mol.
Where can I buy 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid?
You can request a quote for 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.