Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate
TL;DR: Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate (CAS 16015-53-5) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethyl-4-oxophthalazine-1-carboxylate
Also Known As: Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate, methyl 3-ethyl-4-oxophthalazine-1-carboxylate, 3-Ethyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid methyl ester, 1-Phthalazinecarboxylicacid, 3-ethyl-3,4-dihydro-4-oxo-, methyl ester, Methyl3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.203 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 631.1736 |
Chemical Identifiers
| CAS Number | 16015-53-5 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC |
Product Overview
Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate (CAS 16015-53-5), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: methyl 3-ethyl-4-oxophthalazine-1-carboxylate.
Chemical Property Profile of Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate
Property Insights of Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate
The XLogP value of 1.203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate. Following Lipinski's Rule of Five, Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate 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 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
The CAS number of Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate is 16015-53-5.
What is the molecular formula of Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
The molecular formula of Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate is C12H12N2O3.
What is the molecular weight of Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
The molecular weight of Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate is 232.08 g/mol.
Where can I buy Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
You can request a quote for Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.