3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
TL;DR: 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CAS 565174-87-0) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylbutyl)-4-oxophthalazine-1-carboxylic acid
Also Known As: 3-(3-methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid, 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylic acid, 3-(3-Methyl-butyl)-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid, 3-isopentyl-4-oxo-phthalazine-1-carboxylic acid, 3-Isopentyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.1408 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 673.93567 |
Chemical Identifiers
| CAS Number | 565174-87-0 |
|---|---|
| SMILES | CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O |
Product Overview
3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CAS 565174-87-0), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
Property Insights of 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
The XLogP value of 2.1408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methylbutyl)-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-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-(3-Methylbutyl)-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-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The CAS number of 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is 565174-87-0.
What is the molecular formula of 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The molecular formula of 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is C14H16N2O3.
What is the molecular weight of 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The molecular weight of 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is 260.12 g/mol.
Where can I buy 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
You can request a quote for 3-(3-Methylbutyl)-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-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.