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Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate (CAS 690632-11-2) is a chemical compound with molecular formula C11H14ClNO3S and molecular weight 275.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate, 2-IODOBENZYLAMINE, ethyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate, 2-(2-Chloro-acetylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester, UPCMLD0ENAT0514-2961:001
| Molecular Formula | C11H14ClNO3S |
|---|---|
| Molecular Weight | 275.04 g/mol |
| LogP | 2.71894 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0383 |
| Heavy Atoms | 17 |
| Complexity | 442.1701 |
Chemical Identifiers
| CAS Number | 690632-11-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCl |
Product Overview
Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate (CAS 690632-11-2), with molecular formula C11H14ClNO3S and molecular weight 275.04 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 2.71894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-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]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate is 690632-11-2.
What is the molecular formula of Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate is C11H14ClNO3S.
What is the molecular weight of Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate is 275.04 g/mol.
Where can I buy Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-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]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.