4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate
TL;DR: 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate (CAS 444062-73-1) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Also Known As: 4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate, [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.31528 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 895.13574 |
Chemical Identifiers
| CAS Number | 444062-73-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC |
Product Overview
4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate (CAS 444062-73-1), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate.
Chemical Property Profile of 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate
Property Insights of 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate
The XLogP value of 2.31528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate. Following Lipinski's Rule of Five, 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate has 1 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 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate?
The CAS number of 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate is 444062-73-1.
What is the molecular formula of 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate?
The molecular formula of 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate is C19H16N2O5.
What is the molecular weight of 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate?
The molecular weight of 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate is 352.11 g/mol.
Where can I buy 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate?
You can request a quote for 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Carbamoyl-2-cyanoeth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.