![[(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate structure](/static/products/727/727703-54-0.png)
[(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate
TL;DR: [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate (CAS 727703-54-0) is a chemical compound with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: (2-cyanoethyl-phenyl-carbamoyl)methyl 4-(2-phenylethenylsulfonylamino)benzoate, [(2-cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate, [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
| Molecular Formula | C26H23N3O5S |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 4.20288 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.13583 |
| Heavy Atoms | 35 |
| Complexity | 1316.91 |
Chemical Identifiers
| CAS Number | 727703-54-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 |
Product Overview
[(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate (CAS 727703-54-0), with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol. IUPAC: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate
Property Insights of [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate
The XLogP value of 4.20288 indicates that [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate. Following Lipinski's Rule of Five, [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate 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 [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate?
The CAS number of [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate is 727703-54-0.
What is the molecular formula of [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate?
The molecular formula of [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate is C26H23N3O5S.
What is the molecular weight of [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate?
The molecular weight of [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate is 489.14 g/mol.
Where can I buy [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate?
You can request a quote for [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Cyanoethyl)(phenyl)carbamoyl]methyl 4-(2-phenylethenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.