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Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate
TL;DR: Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate (CAS 669747-36-8) is a chemical compound with molecular formula C10H12ClNO3S and molecular weight 261.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate, ethyl 2-(2-chloroacetamido)-5-methylthiophene-3-carboxylate, ethyl 2-[(2-chloroacetyl)amino]-5-methylthiophene-3-carboxylate, Ethyl 2-[(2-chloroacetyl)amino]-5-methyl-thiophene-3-carboxylate, Ethyl 2-(Chloroacetyl)amino-5-methylthiophene-3-carboxylate
| Molecular Formula | C10H12ClNO3S |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 2.41052 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.02264 |
| Heavy Atoms | 16 |
| Complexity | 402.76843 |
Chemical Identifiers
| CAS Number | 669747-36-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C)NC(=O)CCl |
Product Overview
Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate (CAS 669747-36-8), with molecular formula C10H12ClNO3S and molecular weight 261.02 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate
Property Insights of Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate
The XLogP value of 2.41052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate has 1 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 Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate is 669747-36-8.
What is the molecular formula of Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate is C10H12ClNO3S.
What is the molecular weight of Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate is 261.02 g/mol.
Where can I buy Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(chloroacetyl)amino]-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.