Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate
TL;DR: Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate (CAS 896353-79-0) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylate
Also Known As: F2555-0145, ethyl 3-methyl-5-[4-(methylsulfanyl)benzamido]thiophene-2-carboxylate, ethyl 3-methyl-5-[p-(methylthio)benzylamino]-2-thenoate, ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate, ethyl 3-methyl-5-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylate
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 4.20742 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 677.1994 |
Chemical Identifiers
| CAS Number | 896353-79-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=C(C=C2)SC)C |
Product Overview
Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate (CAS 896353-79-0), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: ethyl 3-methyl-5-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate
Property Insights of Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate
The XLogP value of 4.20742 indicates that Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-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 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-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 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate?
The CAS number of Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate is 896353-79-0.
What is the molecular formula of Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate?
The molecular formula of Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate is C16H17NO3S2.
What is the molecular weight of Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate?
The molecular weight of Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate is 335.06 g/mol.
Where can I buy Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate?
You can request a quote for Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-5-(4-(methylthio)benzamido)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.