2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid
TL;DR: 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid (CAS 298682-21-0) 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-(3-methyl-4-oxophthalazin-1-yl)propanoic acid
Also Known As: 2-(3-Methyl-4-oxo-3, 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid, 2-(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-propionic acid, 2-(3-methyl-4-oxophthalazin-1-yl)propanoic acid, BAS 02069614
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.1216 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 645.7311 |
Chemical Identifiers
| CAS Number | 298682-21-0 |
|---|---|
| SMILES | CC(C1=NN(C(=O)C2=CC=CC=C21)C)C(=O)O |
Product Overview
2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid (CAS 298682-21-0), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 2-(3-methyl-4-oxophthalazin-1-yl)propanoic acid.
Chemical Property Profile of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid
Property Insights of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid
The XLogP value of 1.1216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic 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 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
The CAS number of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid is 298682-21-0.
What is the molecular formula of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
The molecular formula of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid is C12H12N2O3.
What is the molecular weight of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
The molecular weight of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid is 232.08 g/mol.
Where can I buy 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
You can request a quote for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.