4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester
TL;DR: 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester (CAS 37156-44-8) is a chemical compound with molecular formula C14H8F3NO4 and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-(trifluoromethyl)benzoate
Also Known As: 4-nitrophenyl 4-(trifluoromethyl)benzoate, 4-nitrophenyl 4-trifluoromethylbenzoate, 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester, (4-nitrophenyl) 4-(trifluoromethyl)benzoate
| Molecular Formula | C14H8F3NO4 |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.04053 |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 37156-44-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F |
| InChIKey | PEYJNSMYALTQJK-UHFFFAOYSA-N |
Product Overview
4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester (CAS 37156-44-8), with molecular formula C14H8F3NO4 and molecular weight 311.04 g/mol. IUPAC: (4-nitrophenyl) 4-(trifluoromethyl)benzoate.
Chemical Property Profile of 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester
Property Insights of 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester
The XLogP value of 4.0 indicates that 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 7 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 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester?
The CAS number of 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester is 37156-44-8.
What is the molecular formula of 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester?
The molecular formula of 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester is C14H8F3NO4.
What is the molecular weight of 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester?
The molecular weight of 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester is 311.04 g/mol.
Where can I buy 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester?
You can request a quote for 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.