Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate
TL;DR: Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate (CAS 339096-86-5) is a chemical compound with molecular formula C13H14ClN3O4 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorophenyl)carbamoyl]-6-oxodiazinane-4-carboxylate
Also Known As: 8H-011, Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate, methyl 2-[(4-chlorophenyl)carbamoyl]-6-oxodiazinane-4-carboxylate, methyl 2-[(4-chlorophenyl)carbamoyl]-6-oxo-1,2-diazinane-4-carboxylate, methyl 2-[(4-chloroanilino)carbonyl]-6-oxohexahydro-4-pyridazinecarboxylate
| Molecular Formula | C13H14ClN3O4 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 1.398 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.0673 |
| Heavy Atoms | 21 |
| Complexity | 561.03973 |
Chemical Identifiers
| CAS Number | 339096-86-5 |
|---|---|
| SMILES | COC(=O)C1CC(=O)NN(C1)C(=O)NC2=CC=C(C=C2)Cl |
Product Overview
Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate (CAS 339096-86-5), with molecular formula C13H14ClN3O4 and molecular weight 311.07 g/mol. IUPAC: methyl 2-[(4-chlorophenyl)carbamoyl]-6-oxodiazinane-4-carboxylate.
Chemical Property Profile of Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate
Property Insights of Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate
The XLogP value of 1.398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate has 2 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 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
The CAS number of Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate is 339096-86-5.
What is the molecular formula of Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
The molecular formula of Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate is C13H14ClN3O4.
What is the molecular weight of Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
The molecular weight of Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate is 311.07 g/mol.
Where can I buy Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
You can request a quote for Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((4-chloroanilino)carbonyl)-6-oxohexahydro-4-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.