![Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate structure](/static/products/923/923061-93-2.png)
Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate
TL;DR: Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate (CAS 923061-93-2) is a chemical compound with molecular formula C19H17NO3S2 and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methylsulfanylbenzoyl)amino]-1-benzothiophene-3-carboxylate
Also Known As: F2779-0271, ethyl 2-[3-(methylsulfanyl)benzamido]-1-benzothiophene-3-carboxylate, ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate, ethyl 2-[(3-methylsulfanylbenzoyl)amino]-1-benzothiophene-3-carboxylate, ethyl 2-[m-(methylthio)benzylamino]-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H17NO3S2 |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 5.0522 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.06497 |
| Heavy Atoms | 25 |
| Complexity | 933.31885 |
Chemical Identifiers
| CAS Number | 923061-93-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)SC |
Product Overview
Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate (CAS 923061-93-2), with molecular formula C19H17NO3S2 and molecular weight 371.06 g/mol. IUPAC: ethyl 2-[(3-methylsulfanylbenzoyl)amino]-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate
Property Insights of Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate
The XLogP value of 5.0522 indicates that Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate?
The CAS number of Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate is 923061-93-2.
What is the molecular formula of Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate?
The molecular formula of Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate is C19H17NO3S2.
What is the molecular weight of Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate?
The molecular weight of Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate is 371.06 g/mol.
Where can I buy Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate?
You can request a quote for Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-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-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-(methylthio)benzamido)benzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.