![Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate structure](/static/products/3390/339096-87-6.webp)
Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate
TL;DR: Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate (CAS 339096-87-6) is a chemical compound with molecular formula C12H13ClN2O5S and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chlorophenyl)sulfonyl-6-oxodiazinane-4-carboxylate
Also Known As: methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate, methyl 2-(4-chlorobenzenesulfonyl)-6-oxo-1,2-diazinane-4-carboxylate, methyl 2-(4-chlorophenyl)sulfonyl-6-oxodiazinane-4-carboxylate, 8H-012, methyl2-(4-chlorobenzenesulfonyl)-6-oxo-1,2-diazinane-4-carboxylate
| Molecular Formula | C12H13ClN2O5S |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 0.5548 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02338 |
| Heavy Atoms | 21 |
| Complexity | 658.7303 |
Chemical Identifiers
| CAS Number | 339096-87-6 |
|---|---|
| SMILES | COC(=O)C1CC(=O)NN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate (CAS 339096-87-6), with molecular formula C12H13ClN2O5S and molecular weight 332.02 g/mol. IUPAC: methyl 2-(4-chlorophenyl)sulfonyl-6-oxodiazinane-4-carboxylate.
Chemical Property Profile of Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate
Property Insights of Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate
The XLogP value of 0.5548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate 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 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate?
The CAS number of Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate is 339096-87-6.
What is the molecular formula of Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate?
The molecular formula of Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate is C12H13ClN2O5S.
What is the molecular weight of Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate?
The molecular weight of Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate is 332.02 g/mol.
Where can I buy Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate?
You can request a quote for Methyl 2-[(4-chlorophenyl)sulfonyl]-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-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-chlorophenyl)sulfonyl]-6-oxohexahydro-4-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.