![3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](/static/products/7288/728893-17-2.webp)
3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
TL;DR: 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid (CAS 728893-17-2) 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.
3-[2-(2-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
Also Known As: 3-[2-(2-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid, 3-[(2-methylphenyl)carbamoylmethyl]-4-oxo-phthalazine-1-carboxylic Acid, 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 2.04182 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 1039.9158 |
Chemical Identifiers
| CAS Number | 728893-17-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O |
Product Overview
3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid (CAS 728893-17-2), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: 3-[2-(2-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
Property Insights of 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
The XLogP value of 2.04182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid has 2 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-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
The CAS number of 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid is 728893-17-2.
What is the molecular formula of 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
The molecular formula of 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid is C18H15N3O4.
What is the molecular weight of 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
The molecular weight of 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid is 337.11 g/mol.
Where can I buy 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
You can request a quote for 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-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-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2-Methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.