3-Trifluoromethylbenzoic acid, 2-naphthyl ester
TL;DR: 3-Trifluoromethylbenzoic acid, 2-naphthyl ester (CAS 959097-13-3) is a chemical compound with molecular formula C18H11F3O2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-2-yl 3-(trifluoromethyl)benzoate
Also Known As: naphthalen-2-yl 3-(trifluoromethyl)benzoate, 3-Trifluoromethylbenzoic acid, 2-naphthyl ester, F3386-5847
| Molecular Formula | C18H11F3O2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0711 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 959097-13-3 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC(=CC=C3)C(F)(F)F |
| InChIKey | GGUXZFJQGVPWCD-UHFFFAOYSA-N |
Product Overview
3-Trifluoromethylbenzoic acid, 2-naphthyl ester (CAS 959097-13-3), with molecular formula C18H11F3O2 and molecular weight 316.07 g/mol. IUPAC: naphthalen-2-yl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 3-Trifluoromethylbenzoic acid, 2-naphthyl ester
Property Insights of 3-Trifluoromethylbenzoic acid, 2-naphthyl ester
The XLogP value of 5.5 indicates that 3-Trifluoromethylbenzoic acid, 2-naphthyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Trifluoromethylbenzoic acid, 2-naphthyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Trifluoromethylbenzoic acid, 2-naphthyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Trifluoromethylbenzoic acid, 2-naphthyl ester?
The CAS number of 3-Trifluoromethylbenzoic acid, 2-naphthyl ester is 959097-13-3.
What is the molecular formula of 3-Trifluoromethylbenzoic acid, 2-naphthyl ester?
The molecular formula of 3-Trifluoromethylbenzoic acid, 2-naphthyl ester is C18H11F3O2.
What is the molecular weight of 3-Trifluoromethylbenzoic acid, 2-naphthyl ester?
The molecular weight of 3-Trifluoromethylbenzoic acid, 2-naphthyl ester is 316.07 g/mol.
Where can I buy 3-Trifluoromethylbenzoic acid, 2-naphthyl ester?
You can request a quote for 3-Trifluoromethylbenzoic acid, 2-naphthyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Trifluoromethylbenzoic acid, 2-naphthyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Trifluoromethylbenzoic acid, 2-naphthyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.