![Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate structure](/static/products/878/878418-25-8.png)
Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate
TL;DR: Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate (CAS 878418-25-8) is a chemical compound with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoate
Also Known As: EiM08-26718, BAS 13028613, methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate, AP-853/43405635, methyl 4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoate
| Molecular Formula | C19H17N3O4 |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 1.9013 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.12192 |
| Heavy Atoms | 26 |
| Complexity | 1038.8287 |
Chemical Identifiers
| CAS Number | 878418-25-8 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate (CAS 878418-25-8), with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol. IUPAC: methyl 4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate
Property Insights of Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate
The XLogP value of 1.9013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate has 1 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 Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate?
The CAS number of Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate is 878418-25-8.
What is the molecular formula of Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate?
The molecular formula of Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate is C19H17N3O4.
What is the molecular weight of Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate?
The molecular weight of Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate is 351.12 g/mol.
Where can I buy Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate?
You can request a quote for Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.