![4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate structure](/static/products/3583/358379-05-2.webp)
4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate
TL;DR: 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate (CAS 358379-05-2) is a chemical compound with molecular formula C24H17BrN2O3 and molecular weight 460.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate
Also Known As: [4-[(Z)-2-Cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate|4-{2-cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate|EN300-26591399
| Molecular Formula | C24H17BrN2O3 |
|---|---|
| Molecular Weight | 460.04 g/mol |
| LogP | 5.5224 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.04224 |
| Heavy Atoms | 30 |
| Complexity | 1144.3186 |
Chemical Identifiers
| CAS Number | 358379-05-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)/C#N |
Product Overview
4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate (CAS 358379-05-2), with molecular formula C24H17BrN2O3 and molecular weight 460.04 g/mol. IUPAC: [4-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate.
Chemical Property Profile of 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate
Property Insights of 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate
The XLogP value of 5.5224 indicates that 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate. Following Lipinski's Rule of Five, 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate?
The CAS number of 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate is 358379-05-2.
What is the molecular formula of 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate?
The molecular formula of 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate is C24H17BrN2O3.
What is the molecular weight of 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate?
The molecular weight of 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate is 460.04 g/mol.
Where can I buy 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate?
You can request a quote for 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-Cyano-2-[(2-methylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.