Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate
TL;DR: Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate (CAS 5409-96-1) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-3H-phthalazine-1-carboxylate
Also Known As: methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate, methyl 4-hydroxyphthalazine-1-carboxylate, 4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid methyl ester, methyl 4-oxo-3H-phthalazine-1-carboxylate, ZERO/005738
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5409-96-1 |
|---|---|
| SMILES | COC(=O)C1=NNC(=O)C2=CC=CC=C21 |
| InChIKey | MKUYKCWVZJBMOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate (CAS 5409-96-1), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: methyl 4-oxo-3H-phthalazine-1-carboxylate.
Chemical Property Profile of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate
Property Insights of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate. Following Lipinski's Rule of Five, Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate has 1 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-oxo-3,4-dihydrophthalazine-1-carboxylate?
The CAS number of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate is 5409-96-1.
What is the molecular formula of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate?
The molecular formula of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate is C10H8N2O3.
What is the molecular weight of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate?
The molecular weight of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate is 204.05 g/mol.
Where can I buy Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate?
You can request a quote for Methyl 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 4-oxo-3,4-dihydrophthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.