1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester
TL;DR: 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester (CAS 58745-37-2) is a chemical compound with molecular formula C14H18ClN3O2S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)carbamothioyl]diazinane-1-carboxylate
Also Known As: 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester, ethyl 2-[(4-chlorophenyl)carbamothioyl]diazinane-1-carboxylate, Ethyl 2-[(4-chlorophenyl)thiocarbamoyl]diazinane-1-carboxylate, Ethyl 2-[(4-chlorophenyl)carbamothioyl]-1,2-diazinane-1-carboxylate
| Molecular Formula | C14H18ClN3O2S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 3.5061 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.0808 |
| Heavy Atoms | 21 |
| Complexity | 509.44553 |
Chemical Identifiers
| CAS Number | 58745-37-2 |
|---|---|
| SMILES | CCOC(=O)N1CCCCN1C(=S)NC2=CC=C(C=C2)Cl |
Product Overview
1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester (CAS 58745-37-2), with molecular formula C14H18ClN3O2S and molecular weight 327.08 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)carbamothioyl]diazinane-1-carboxylate.
Chemical Property Profile of 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester
Property Insights of 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester
The XLogP value of 3.5061 indicates that 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester has 1 hydrogen bond donor(s) and 3 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 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester?
The CAS number of 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester is 58745-37-2.
What is the molecular formula of 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester?
The molecular formula of 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester is C14H18ClN3O2S.
What is the molecular weight of 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester?
The molecular weight of 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester is 327.08 g/mol.
Where can I buy 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester?
You can request a quote for 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Pyridazinecarboxylic acid, 2-(((4-chlorophenyl)amino)thioxomethyl)tetrahydro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.