![[(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate structure](/static/products/7289/728902-95-2.webp)
[(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate
TL;DR: [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate (CAS 728902-95-2) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(2-phenylethylamino)ethyl] 4-cyanobenzoate
Also Known As: starbld0007698, 2-oxo-2-(phenethylamino)ethyl 4-cyanobenzoate, [(2-phenylethyl)carbamoyl]methyl 4-cyanobenzoate, [2-oxo-2-(phenethylamino)ethyl] 4-cyanobenzoate, AB00717864-01
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.07398 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 703.2966 |
Chemical Identifiers
| CAS Number | 728902-95-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)C#N |
Product Overview
[(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate (CAS 728902-95-2), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: [2-oxo-2-(2-phenylethylamino)ethyl] 4-cyanobenzoate.
Chemical Property Profile of [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate
Property Insights of [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate
The XLogP value of 2.07398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate. Following Lipinski's Rule of Five, [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate has 1 hydrogen bond donor(s) and 4 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-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate?
The CAS number of [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate is 728902-95-2.
What is the molecular formula of [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate?
The molecular formula of [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate is C18H16N2O3.
What is the molecular weight of [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate?
The molecular weight of [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate is 308.12 g/mol.
Where can I buy [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate?
You can request a quote for [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Phenylethyl)carbamoyl]methyl 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.