![4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid structure](/static/products/7233/723319-96-8.webp)
4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid
TL;DR: 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid (CAS 723319-96-8) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: AB00716442-01, 4-[3-(4-tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid, 4-[[2-cyano-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoic Acid, 4-[[(E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 4.22798 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 880.8388 |
Chemical Identifiers
| CAS Number | 723319-96-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid (CAS 723319-96-8), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: 4-[[(E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid
Property Insights of 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid
The XLogP value of 4.22798 indicates that 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid. Following Lipinski's Rule of Five, 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid has 2 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-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid?
The CAS number of 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid is 723319-96-8.
What is the molecular formula of 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid?
The molecular formula of 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid is C21H20N2O3.
What is the molecular weight of 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid?
The molecular weight of 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid is 348.15 g/mol.
Where can I buy 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid?
You can request a quote for 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]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-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-Tert-butylphenyl)-2-cyanoprop-2-enamido]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.