(E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate
TL;DR: (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate (CAS 365507-95-5) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate, ethyl 4-{2-cyano-3-[2-(propan-2-yloxy)phenyl]prop-2-enamido}benzoate, ethyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate, F1305-0199, ethyl 4-({(2E)-2-cyano-3-[2-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)benzoate
| Molecular Formula | C22H22N2O4 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 4.19618 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.15796 |
| Heavy Atoms | 28 |
| Complexity | 908.87915 |
Chemical Identifiers
| CAS Number | 365507-95-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OC(C)C)/C#N |
Product Overview
(E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate (CAS 365507-95-5), with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol. IUPAC: ethyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate
Property Insights of (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate
The XLogP value of 4.19618 indicates that (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)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 (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)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 (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate?
The CAS number of (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate is 365507-95-5.
What is the molecular formula of (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate?
The molecular formula of (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate is C22H22N2O4.
What is the molecular weight of (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate?
The molecular weight of (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate is 378.16 g/mol.
Where can I buy (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate?
You can request a quote for (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(2-cyano-3-(2-isopropoxyphenyl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.