ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate (CAS 137987-69-0) is a chemical compound with molecular formula C20H19NO4S2 and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-6-formyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate, ethyl 2-acetamido-6-formyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate, ethyl 2-(acetylamino)-6-formyl-7-(phenylthio)-4,5-dihydro-1-benzothiophene-3-carboxylate, Ethyl 2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-ACETAMIDO-6-FORMYL-7-(PHENYLSULFANYL)-4,5-DIHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H19NO4S2 |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 4.5317 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.07556 |
| Heavy Atoms | 27 |
| Complexity | 915.563 |
Chemical Identifiers
| CAS Number | 137987-69-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)C=O)NC(=O)C |
Product Overview
ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate (CAS 137987-69-0), with molecular formula C20H19NO4S2 and molecular weight 401.08 g/mol. IUPAC: ethyl 2-acetamido-6-formyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.5317 indicates that ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate is 137987-69-0.
What is the molecular formula of ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate is C20H19NO4S2.
What is the molecular weight of ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate is 401.08 g/mol.
Where can I buy ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-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)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.