Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate
TL;DR: Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate (CAS 878080-53-6) 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.
methyl 4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
Also Known As: methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate, methyl 4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate, methyl 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)carbonyl]amino}benzoate
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 1.9724 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 1022.6658 |
Chemical Identifiers
| CAS Number | 878080-53-6 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate (CAS 878080-53-6), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: methyl 4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate
Property Insights of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate
The XLogP value of 1.9724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)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-dihydrophthalazine-1-carboxamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)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-dihydrophthalazine-1-carboxamido)benzoate?
The CAS number of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate is 878080-53-6.
What is the molecular formula of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate?
The molecular formula of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate is C18H15N3O4.
What is the molecular weight of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate?
The molecular weight of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate is 337.11 g/mol.
Where can I buy Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate?
You can request a quote for Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)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-dihydrophthalazine-1-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.