![2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide structure](/static/products/7142/714213-30-6.webp)
2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide
TL;DR: 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide (CAS 714213-30-6) is a chemical compound with molecular formula C13H18BrNOS and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-N-tert-butylacetamide
Also Known As: 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide, 2-[(4-bromobenzyl)thio]-N-(tert-butyl)acetamide, 2-[(4-bromophenyl)methylsulfanyl]-N-tert-butylacetamide
| Molecular Formula | C13H18BrNOS |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.597 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.02924 |
| Heavy Atoms | 17 |
| Complexity | 370.001 |
Chemical Identifiers
| CAS Number | 714213-30-6 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSCC1=CC=C(C=C1)Br |
Product Overview
2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide (CAS 714213-30-6), with molecular formula C13H18BrNOS and molecular weight 315.03 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-N-tert-butylacetamide.
Chemical Property Profile of 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide
Property Insights of 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide
The XLogP value of 3.597 indicates that 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide 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-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide 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-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide?
The CAS number of 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide is 714213-30-6.
What is the molecular formula of 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide?
The molecular formula of 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide is C13H18BrNOS.
What is the molecular weight of 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide?
The molecular weight of 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide is 315.03 g/mol.
Where can I buy 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide?
You can request a quote for 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-bromobenzyl)sulfanyl]-N-tert-butylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.