Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate (CAS 631856-70-7) is a chemical compound with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-benzamido-4,5-dimethylthiophen-3-yl)methyl]piperazine-1-carboxylate
Also Known As: ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate, F1573-0029, ethyl 4-[(2-benzamido-4,5-dimethylthiophen-3-yl)methyl]piperazine-1-carboxylate, Ethyl 4-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)methyl]piperazine-1-carboxylate, ethyl 4-{[4,5-dimethyl-2-(phenylcarbonylamino)-3-thienyl]methyl}piperazinecarb oxylate
| Molecular Formula | C21H27N3O3S |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 3.89134 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1773 |
| Heavy Atoms | 28 |
| Complexity | 826.9214 |
Chemical Identifiers
| CAS Number | 631856-70-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3 |
Product Overview
Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate (CAS 631856-70-7), with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol. IUPAC: ethyl 4-[(2-benzamido-4,5-dimethylthiophen-3-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate
The XLogP value of 3.89134 indicates that Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-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 Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate is 631856-70-7.
What is the molecular formula of Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate is C21H27N3O3S.
What is the molecular weight of Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate is 401.18 g/mol.
Where can I buy Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-benzamido-4,5-dimethylthiophen-3-yl)methyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.