Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester
TL;DR: Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester (CAS 474308-35-5) is a chemical compound with molecular formula C15H11F3O2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(trifluoromethyl)benzoate
Also Known As: 6-phenyl-2,4-dioxopyran, Benzyl 4-(trifluoromethyl)benzoate, Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester, Benzyl 4-(trifluoromethyl)benzoate #, 4-Trifluoromethylbenzoic acid, benzyl ester
| Molecular Formula | C15H11F3O2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0711 |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 474308-35-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | ZJZBDICZXNRUPF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester (CAS 474308-35-5), with molecular formula C15H11F3O2 and molecular weight 280.07 g/mol. IUPAC: benzyl 4-(trifluoromethyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester
Property Insights of Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester
The XLogP value of 4.9 indicates that Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl 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, Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester has 0 hydrogen bond donor(s) and 5 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 Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester?
The CAS number of Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester is 474308-35-5.
What is the molecular formula of Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester?
The molecular formula of Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester is C15H11F3O2.
What is the molecular weight of Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester?
The molecular weight of Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester is 280.07 g/mol.
Where can I buy Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester?
You can request a quote for Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(trifluoromethyl)-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.