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Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate
TL;DR: Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate (CAS 477567-85-4) is a chemical compound with molecular formula C16H14F3NO3S and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate
Also Known As: AB00766490-01, ETHYL 3-METHYL-5-[3-(TRIFLUOROMETHYL)BENZAMIDO]THIOPHENE-2-CARBOXYLATE, F0882-0811, ethyl 3-methyl-5-(3-(trifluoromethyl)benzamido)thiophene-2-carboxylate, ethyl 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate
| Molecular Formula | C16H14F3NO3S |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 4.50432 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.06464 |
| Heavy Atoms | 24 |
| Complexity | 768.1684 |
Chemical Identifiers
| CAS Number | 477567-85-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C |
Product Overview
Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate (CAS 477567-85-4), with molecular formula C16H14F3NO3S and molecular weight 357.06 g/mol. IUPAC: ethyl 3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate
Property Insights of Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate
The XLogP value of 4.50432 indicates that Ethyl 3-methyl-5-[3-(trifluoromethyl)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-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate 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 Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate?
The CAS number of Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate is 477567-85-4.
What is the molecular formula of Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate?
The molecular formula of Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate is C16H14F3NO3S.
What is the molecular weight of Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate?
The molecular weight of Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate is 357.06 g/mol.
Where can I buy Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate?
You can request a quote for Ethyl 3-methyl-5-[3-(trifluoromethyl)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-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-5-[3-(trifluoromethyl)benzamido]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.