Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate
TL;DR: Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate (CAS 22288-82-0) is a chemical compound with molecular formula C8H8ClNO3S and molecular weight 232.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-5-chlorothiophene-3-carboxylate
Also Known As: methyl 2-acetamido-5-chlorothiophene-3-carboxylate, methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate, Bionet2_000445, 7629AD, methyl 5-chloro-2-acetamidothiophene-3-carboxylate
| Molecular Formula | C8H8ClNO3S |
|---|---|
| Molecular Weight | 232.99 g/mol |
| LogP | 2.1465 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.99135 |
| Heavy Atoms | 14 |
| Complexity | 374.66333 |
Chemical Identifiers
| CAS Number | 22288-82-0 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(S1)Cl)C(=O)OC |
Product Overview
Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate (CAS 22288-82-0), with molecular formula C8H8ClNO3S and molecular weight 232.99 g/mol. IUPAC: methyl 2-acetamido-5-chlorothiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate
Property Insights of Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate
The XLogP value of 2.1465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(acetylamino)-5-chloro-3-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 2-(acetylamino)-5-chloro-3-thiophenecarboxylate?
The CAS number of Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate is 22288-82-0.
What is the molecular formula of Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate?
The molecular formula of Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate is C8H8ClNO3S.
What is the molecular weight of Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate?
The molecular weight of Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate is 232.99 g/mol.
Where can I buy Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate?
You can request a quote for Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(acetylamino)-5-chloro-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.