![[(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate structure](/static/products/7171/717125-85-4.webp)
[(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate
TL;DR: [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate (CAS 717125-85-4) is a chemical compound with molecular formula C17H16BrNO3 and molecular weight 361.03 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-bromobenzoate
Also Known As: [(2-phenylethyl)carbamoyl]methyl 4-bromobenzoate|2-oxo-2-(phenethylamino)ethyl 4-bromobenzoate|[2-oxo-2-(2-phenylethylamino)ethyl] 4-bromobenzoate|[2-oxo-2-(phenethylamino)ethyl] 4-bromobenzoate|AB00561027-02|2-oxo-2-[(2-phenylethyl)amino]ethyl 4-bromobenzoate|F6609-3671
| Molecular Formula | C17H16BrNO3 |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 2.9648 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.03137 |
| Heavy Atoms | 22 |
| Complexity | 626.1121 |
Chemical Identifiers
| CAS Number | 717125-85-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)Br |
Product Overview
[(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate (CAS 717125-85-4), with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol. IUPAC: [2-oxo-2-(2-phenylethylamino)ethyl] 4-bromobenzoate.
Chemical Property Profile of [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate
Property Insights of [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate
The XLogP value of 2.9648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate has 1 hydrogen bond donor(s) and 3 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-bromobenzoate?
The CAS number of [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate is 717125-85-4.
What is the molecular formula of [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate?
The molecular formula of [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate is C17H16BrNO3.
What is the molecular weight of [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate?
The molecular weight of [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate is 361.03 g/mol.
Where can I buy [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate?
You can request a quote for [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate 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-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Phenylethyl)carbamoyl]methyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.