ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate
TL;DR: ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate (CAS 686736-67-4) is a chemical compound with molecular formula C19H16F3N3O2S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1H-indole-2-carboxylate
Also Known As: AB00668916-01, F0588-0034, ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate, ethyl 3-({[4-(trifluoromethyl)phenyl]carbamothioyl}amino)-1H-indole-2-carboxylate, ethyl 3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1H-indole-2-carboxylate
| Molecular Formula | C19H16F3N3O2S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 5.1723 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.09152 |
| Heavy Atoms | 28 |
| Complexity | 1013.4309 |
Chemical Identifiers
| CAS Number | 686736-67-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=C(C=C3)C(F)(F)F |
Product Overview
ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate (CAS 686736-67-4), with molecular formula C19H16F3N3O2S and molecular weight 407.09 g/mol. IUPAC: ethyl 3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate
Property Insights of ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate
The XLogP value of 5.1723 indicates that ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate?
The CAS number of ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate is 686736-67-4.
What is the molecular formula of ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate is C19H16F3N3O2S.
What is the molecular weight of ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate is 407.09 g/mol.
Where can I buy ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-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 ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(3-(4-(trifluoromethyl)phenyl)thioureido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.