![4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid structure](/static/products/402/402748-92-9.png)
4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid
TL;DR: 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid (CAS 402748-92-9) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid
Also Known As: 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid, 4-({(2E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}amino)benzoic acid, 4-{2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamido}benzoic acid, 4-[[2-cyano-3-(4-diethylaminophenyl)prop-2-enoyl]amino]benzoic Acid, 4-({(E)-2-CYANO-3-[4-(DIETHYLAMINO)PHENYL]-2-PROPENOYL}AMINO)BENZOIC ACID
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 3.77668 |
| Topological Polar Surface Area | 93.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 874.383 |
Chemical Identifiers
| CAS Number | 402748-92-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid (CAS 402748-92-9), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid
Property Insights of 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid
The XLogP value of 3.77668 indicates that 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 4 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-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid?
The CAS number of 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid is 402748-92-9.
What is the molecular formula of 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid?
The molecular formula of 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid is C21H21N3O3.
What is the molecular weight of 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid?
The molecular weight of 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid is 363.16 g/mol.
Where can I buy 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid?
You can request a quote for 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]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-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.