1H-indol-4-yl 4-(trifluoromethyl)benzoate
TL;DR: 1H-indol-4-yl 4-(trifluoromethyl)benzoate (CAS 239086-28-3) is a chemical compound with molecular formula C16H10F3NO2 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-4-yl 4-(trifluoromethyl)benzoate
Also Known As: Maybridge3_000501, 1H-indol-4-yl 4-(trifluoromethyl)benzoate, IDI1_011888, benzoic acid,4-(trifluoromethyl)-,1h-indol-4-yl ester
| Molecular Formula | C16H10F3NO2 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 4.4059 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.06638 |
| Heavy Atoms | 22 |
| Complexity | 819.27325 |
Chemical Identifiers
| CAS Number | 239086-28-3 |
|---|---|
| SMILES | C1=CC2=C(C=CN2)C(=C1)OC(=O)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
1H-indol-4-yl 4-(trifluoromethyl)benzoate (CAS 239086-28-3), with molecular formula C16H10F3NO2 and molecular weight 305.07 g/mol. IUPAC: 1H-indol-4-yl 4-(trifluoromethyl)benzoate.
Chemical Property Profile of 1H-indol-4-yl 4-(trifluoromethyl)benzoate
Property Insights of 1H-indol-4-yl 4-(trifluoromethyl)benzoate
The XLogP value of 4.4059 indicates that 1H-indol-4-yl 4-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, 1H-indol-4-yl 4-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-indol-4-yl 4-(trifluoromethyl)benzoate 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 1H-indol-4-yl 4-(trifluoromethyl)benzoate?
The CAS number of 1H-indol-4-yl 4-(trifluoromethyl)benzoate is 239086-28-3.
What is the molecular formula of 1H-indol-4-yl 4-(trifluoromethyl)benzoate?
The molecular formula of 1H-indol-4-yl 4-(trifluoromethyl)benzoate is C16H10F3NO2.
What is the molecular weight of 1H-indol-4-yl 4-(trifluoromethyl)benzoate?
The molecular weight of 1H-indol-4-yl 4-(trifluoromethyl)benzoate is 305.07 g/mol.
Where can I buy 1H-indol-4-yl 4-(trifluoromethyl)benzoate?
You can request a quote for 1H-indol-4-yl 4-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-indol-4-yl 4-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1H-indol-4-yl 4-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.