![3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid structure](/static/products/5226/522656-84-4.webp)
3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
TL;DR: 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid (CAS 522656-84-4) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Also Known As: 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid, 3-[2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enamido]benzoic acid, 3-[[2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic Acid, 3-{[2-CYANO-3-(2,4,5-TRIMETHOXYPHENYL)ACRYLOYL]AMINO}BENZOIC ACID
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.95628 |
| Topological Polar Surface Area | 117.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 975.1466 |
Chemical Identifiers
| CAS Number | 522656-84-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)O)OC)OC |
Product Overview
3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid (CAS 522656-84-4), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Property Insights of 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
The XLogP value of 2.95628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid. The TPSA of 117.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 6 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 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid?
The CAS number of 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid is 522656-84-4.
What is the molecular formula of 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid?
The molecular formula of 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid is C20H18N2O6.
What is the molecular weight of 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid?
The molecular weight of 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid is 382.12 g/mol.
Where can I buy 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid?
You can request a quote for 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)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 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.