METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE
TL;DR: METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE (CAS 1022580-19-3) is a chemical compound with molecular formula C18H20ClN3O2S2 and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate
Also Known As: METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE, methyl 3-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate, methyl 3-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate, Methyl 3-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate, methyl 3-({[4-(5-chloro-2-methylphenyl)piperazino]carbothioyl}amino)-2-thiophenecarboxylate
| Molecular Formula | C18H20ClN3O2S2 |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 4.01552 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.06854 |
| Heavy Atoms | 26 |
| Complexity | 816.5176 |
Chemical Identifiers
| CAS Number | 1022580-19-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC |
Product Overview
METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE (CAS 1022580-19-3), with molecular formula C18H20ClN3O2S2 and molecular weight 409.07 g/mol. IUPAC: methyl 3-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE
Property Insights of METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE
The XLogP value of 4.01552 indicates that METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE 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 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE?
The CAS number of METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE is 1022580-19-3.
What is the molecular formula of METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE?
The molecular formula of METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE is C18H20ClN3O2S2.
What is the molecular weight of METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE?
The molecular weight of METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE is 409.07 g/mol.
Where can I buy METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE?
You can request a quote for METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-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-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 3-(((4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.