Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
TL;DR: Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate (CAS 799262-35-4) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-methyl-4-oxophthalazin-1-yl)benzoate
Also Known As: BAS 07007946, methyl 4-(3-methyl-4-oxophthalazin-1-yl)benzoate, methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate, 4-(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzoic acid methyl ester
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.3871 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 911.3305 |
Chemical Identifiers
| CAS Number | 799262-35-4 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate (CAS 799262-35-4), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: methyl 4-(3-methyl-4-oxophthalazin-1-yl)benzoate.
Chemical Property Profile of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
Property Insights of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
The XLogP value of 2.3871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate has 0 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 Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The CAS number of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is 799262-35-4.
What is the molecular formula of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The molecular formula of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is C17H14N2O3.
What is the molecular weight of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The molecular weight of Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is 294.10 g/mol.
Where can I buy Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
You can request a quote for Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)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)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.