4-(4-Tert-butyl-2-nitrophenyl)benzoic acid
TL;DR: 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid (CAS 5728-48-3) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butyl-2-nitrophenyl)benzoic acid
Also Known As: 4-(4-tert-butyl-2-nitrophenyl)benzoic acid, AA-516/12432188, 4'-tert-butyl-2'-nitro[1,1'-biphenyl]-4-carboxylic acid
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 4.2575 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 727.31445 |
Chemical Identifiers
| CAS Number | 5728-48-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-(4-Tert-butyl-2-nitrophenyl)benzoic acid (CAS 5728-48-3), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 4-(4-tert-butyl-2-nitrophenyl)benzoic acid.
Chemical Property Profile of 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid
Property Insights of 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid
The XLogP value of 4.2575 indicates that 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid has 1 hydrogen bond donor(s) and 3 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-(4-Tert-butyl-2-nitrophenyl)benzoic acid?
The CAS number of 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid is 5728-48-3.
What is the molecular formula of 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid?
The molecular formula of 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid is C17H17NO4.
What is the molecular weight of 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid?
The molecular weight of 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid is 299.12 g/mol.
Where can I buy 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid?
You can request a quote for 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Tert-butyl-2-nitrophenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.