Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate (CAS 137987-74-7) is a chemical compound with molecular formula C14H12ClNO4S and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-7-chloro-6-formyl-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate, ETHYL 7-CHLORO-2-ACETAMIDO-6-FORMYL-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-acetamido-7-chloro-6-formyl-1-benzothiophene-3-carboxylate, Ethyl 2-acetamido-7-chloro-6-formylbenzo[b]thiophene-3-carboxylate, ethyl 2-acetamido-7-chloro-6-formyl-benzothiophene-3-carboxylate
| Molecular Formula | C14H12ClNO4S |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.01755 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 137987-74-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C=O)NC(=O)C |
| InChIKey | QKJBAAIPKRRPCF-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate (CAS 137987-74-7), with molecular formula C14H12ClNO4S and molecular weight 325.02 g/mol. IUPAC: ethyl 2-acetamido-7-chloro-6-formyl-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate
The XLogP value of 3.3 indicates that Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate is 137987-74-7.
What is the molecular formula of Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate is C14H12ClNO4S.
What is the molecular weight of Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate is 325.02 g/mol.
Where can I buy Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-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-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(acetylamino)-7-chloro-6-formyl-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.