methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate
TL;DR: methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate (CAS 494745-07-2) is a chemical compound with molecular formula C10H10F3NO4S2 and molecular weight 329.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-4-(trifluoromethyl)thiophene-2-carboxylate
Also Known As: methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate, methyl 3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-4-(trifluoromethyl)thiophene-2-carboxylate, 3-Amino-5-methoxycarbonylmethylsulfanyl-4-trifluoromethyl-thiophene-2-carboxylic acid methyl ester, Methyl 3-amino-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(trifluoromethyl)-2-thiophenecarboxylate #, methyl 3-amino-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(trifluoromethyl)thiophene-2-carboxylate
| Molecular Formula | C10H10F3NO4S2 |
|---|---|
| Molecular Weight | 329.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.00034 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 494745-07-2 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=C(S1)C(=O)OC)N)C(F)(F)F |
| InChIKey | YHYWNFANMRQZCN-UHFFFAOYSA-N |
Product Overview
methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate (CAS 494745-07-2), with molecular formula C10H10F3NO4S2 and molecular weight 329.00 g/mol. IUPAC: methyl 3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-4-(trifluoromethyl)thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate
Property Insights of methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate
The XLogP value of 3.3 indicates that methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 10 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 methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate?
The CAS number of methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate is 494745-07-2.
What is the molecular formula of methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate?
The molecular formula of methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate is C10H10F3NO4S2.
What is the molecular weight of methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate?
The molecular weight of methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate is 329.00 g/mol.
Where can I buy methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate?
You can request a quote for methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)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 methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-amino-5-((2-methoxy-2-oxoethyl)thio)-4-(trifluoromethyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.