![2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide structure](/static/products/5187/5187-30-4.webp)
2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide
TL;DR: 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide (CAS 5187-30-4) is a chemical compound with molecular formula C17H18BrNOS and molecular weight 363.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide
Also Known As: 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide, BIM-0013341.P001, 2-[(3-bromobenzyl)thio]-N-(1-phenylethyl)acetamide, 2-{[(3-BROMOPHENYL)METHYL]SULFANYL}-N-(1-PHENYLETHYL)ACETAMIDE
| Molecular Formula | C17H18BrNOS |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 4.5597 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.02924 |
| Heavy Atoms | 21 |
| Complexity | 588.3538 |
Chemical Identifiers
| CAS Number | 5187-30-4 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSCC2=CC(=CC=C2)Br |
Product Overview
2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide (CAS 5187-30-4), with molecular formula C17H18BrNOS and molecular weight 363.03 g/mol. IUPAC: 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide.
Chemical Property Profile of 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide
Property Insights of 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide
The XLogP value of 4.5597 indicates that 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide has 1 hydrogen bond donor(s) and 2 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-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide?
The CAS number of 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide is 5187-30-4.
What is the molecular formula of 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide?
The molecular formula of 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide is C17H18BrNOS.
What is the molecular weight of 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide?
The molecular weight of 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide is 363.03 g/mol.
Where can I buy 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide?
You can request a quote for 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-bromophenyl)methylsulfanyl]-N-(1-phenylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.