3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
TL;DR: 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CAS 721418-41-3) 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-butyl-4-oxophthalazine-1-carboxylic acid
Also Known As: 3-butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid, 3-butyl-4-oxophthalazine-1-carboxylic acid, 3-Butyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid, 3-butyl-4-oxo-phthalazine-1-carboxylic Acid, 3-butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylicacid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.8948 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 646.2167 |
Chemical Identifiers
| CAS Number | 721418-41-3 |
|---|---|
| SMILES | CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O |
Product Overview
3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CAS 721418-41-3), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 3-butyl-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
Property Insights of 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
The XLogP value of 1.8948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-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-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-Butyl-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-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The CAS number of 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is 721418-41-3.
What is the molecular formula of 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The molecular formula of 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is C13H14N2O3.
What is the molecular weight of 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The molecular weight of 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is 246.10 g/mol.
Where can I buy 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
You can request a quote for 3-Butyl-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-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.