methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
TL;DR: methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate (CAS 327-21-9) is a chemical compound with molecular formula C11H8F3NO2 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
Also Known As: methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate, methyl 6-(trifluoromethyl)indole-2-carboxylate, J2.475.482K, Methyl 6-trifluoromethyl-1H-indole-2-carboxylate, methyl6-(trifluoromethyl)-1H-indole-2-carboxylate
| Molecular Formula | C11H8F3NO2 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.9733 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.05072 |
| Heavy Atoms | 17 |
| Complexity | 571.5905 |
Chemical Identifiers
| CAS Number | 327-21-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(N1)C=C(C=C2)C(F)(F)F |
Product Overview
methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate (CAS 327-21-9), with molecular formula C11H8F3NO2 and molecular weight 243.05 g/mol. IUPAC: methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
Property Insights of methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
The XLogP value of 2.9733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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 6-(trifluoromethyl)-1H-indole-2-carboxylate?
The CAS number of methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate is 327-21-9.
What is the molecular formula of methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate?
The molecular formula of methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate is C11H8F3NO2.
What is the molecular weight of methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate?
The molecular weight of methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate is 243.05 g/mol.
Where can I buy methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate?
You can request a quote for methyl 6-(trifluoromethyl)-1H-indole-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 6-(trifluoromethyl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.