![Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate structure](/static/products/876/87685-13-0.png)
Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate
TL;DR: Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate (CAS 87685-13-0) is a chemical compound with molecular formula C9H10ClNO3S and molecular weight 247.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-chloroacetyl)amino]-4-methylthiophene-2-carboxylate
Also Known As: Articaine impurity 24, methyl 3-(2-chloroacetamido)-4-methylthiophene-2-carboxylate, methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate, methyl 3-[(2-chloroacetyl)amino]-4-methylthiophene-2-carboxylate, methyl3-(2-chloroacetamido)-4-methylthiophene-2-carboxylate
| Molecular Formula | C9H10ClNO3S |
|---|---|
| Molecular Weight | 247.01 g/mol |
| LogP | 2.02042 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.00699 |
| Heavy Atoms | 15 |
| Complexity | 388.70923 |
Chemical Identifiers
| CAS Number | 87685-13-0 |
|---|---|
| SMILES | CC1=CSC(=C1NC(=O)CCl)C(=O)OC |
Product Overview
Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate (CAS 87685-13-0), with molecular formula C9H10ClNO3S and molecular weight 247.01 g/mol. IUPAC: methyl 3-[(2-chloroacetyl)amino]-4-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate
Property Insights of Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate
The XLogP value of 2.02042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate 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 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate?
The CAS number of Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate is 87685-13-0.
What is the molecular formula of Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate?
The molecular formula of Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate is C9H10ClNO3S.
What is the molecular weight of Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate?
The molecular weight of Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate is 247.01 g/mol.
Where can I buy Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate?
You can request a quote for Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2-chloroacetyl)amino]-4-methyl-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.