![2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid structure](/static/products/4332/433259-13-3.webp)
2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid
TL;DR: 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid (CAS 433259-13-3) is a chemical compound with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid
Also Known As: BAS 03809828, AN-988/40984595, 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid, 2-{[(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)acetyl]amino}benzoic acid, 2-(2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido)benzoic acid
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 433259-13-3 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=CC=C3C(=O)O |
| InChIKey | QXVWLDVPBBZRRB-UHFFFAOYSA-N |
Product Overview
2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid (CAS 433259-13-3), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid
Property Insights of 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid. Following Lipinski's Rule of Five, 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 5 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-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid?
The CAS number of 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid is 433259-13-3.
What is the molecular formula of 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid?
The molecular formula of 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid is C18H15N3O4.
What is the molecular weight of 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid?
The molecular weight of 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid is 337.11 g/mol.
Where can I buy 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid?
You can request a quote for 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(3-Methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.