2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate
TL;DR: 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate (CAS 478079-29-7) is a chemical compound with molecular formula C16H12F3NO2S and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl] thiophene-2-carboxylate
Also Known As: 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate, 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl thiophene-2-carboxylate, [2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl] thiophene-2-carboxylate, 7R-1063, 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethylthiophene-2-carboxylate
| Molecular Formula | C16H12F3NO2S |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 4.7002 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.05408 |
| Heavy Atoms | 23 |
| Complexity | 836.75275 |
Chemical Identifiers
| CAS Number | 478079-29-7 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C(C(F)(F)F)OC(=O)C3=CC=CS3 |
Product Overview
2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate (CAS 478079-29-7), with molecular formula C16H12F3NO2S and molecular weight 339.05 g/mol. IUPAC: [2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl] thiophene-2-carboxylate.
Chemical Property Profile of 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate
Property Insights of 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate
The XLogP value of 4.7002 indicates that 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 3 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 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate?
The CAS number of 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate is 478079-29-7.
What is the molecular formula of 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate?
The molecular formula of 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate is C16H12F3NO2S.
What is the molecular weight of 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate?
The molecular weight of 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate is 339.05 g/mol.
Where can I buy 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate?
You can request a quote for 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.