![Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate structure](/static/products/4655/465513-48-8.webp)
Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate
TL;DR: Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate (CAS 465513-48-8) is a chemical compound with molecular formula C24H26N2O4 and molecular weight 406.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate
Also Known As: AS-871/41199089, butyl 4-{2-cyano-3-[2-(propan-2-yloxy)phenyl]prop-2-enamido}benzoate, butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate, butyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate, butyl 4-({(2E)-2-cyano-3-[2-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)benzoate
| Molecular Formula | C24H26N2O4 |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 4.97638 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.18927 |
| Heavy Atoms | 30 |
| Complexity | 940.42346 |
Chemical Identifiers
| CAS Number | 465513-48-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OC(C)C)/C#N |
Product Overview
Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate (CAS 465513-48-8), with molecular formula C24H26N2O4 and molecular weight 406.19 g/mol. IUPAC: butyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate
Property Insights of Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate
The XLogP value of 4.97638 indicates that Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate. Following Lipinski's Rule of Five, Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 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 Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate?
The CAS number of Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate is 465513-48-8.
What is the molecular formula of Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate?
The molecular formula of Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate is C24H26N2O4.
What is the molecular weight of Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate?
The molecular weight of Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate is 406.19 g/mol.
Where can I buy Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate?
You can request a quote for Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-{[2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.