Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 448199-06-2) 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.
methyl 2-[(2-chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate, 2-(2-Chloro-acetylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester, UPCMLD0ENAT0514-0380:001, methyl 2-[(2-chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C10H12ClNO3S |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 2.32884 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.02264 |
| Heavy Atoms | 16 |
| Complexity | 427.9438 |
Chemical Identifiers
| CAS Number | 448199-06-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CCl)C |
Product Overview
Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 448199-06-2), with molecular formula C10H12ClNO3S and molecular weight 261.02 g/mol. IUPAC: methyl 2-[(2-chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 2.32884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-chloroacetamido)-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 Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate is 448199-06-2.
What is the molecular formula of Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate is C10H12ClNO3S.
What is the molecular weight of Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate is 261.02 g/mol.
Where can I buy Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Methyl 2-(2-chloroacetamido)-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 Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-chloroacetamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.