N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide
TL;DR: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide (CAS 877787-04-7) is a chemical compound with molecular formula C19H20BrNO4S and molecular weight 437.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
Also Known As: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide, AO-022/43360956, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)-2-phenoxyacetamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-phenoxy-acetamide
| Molecular Formula | C19H20BrNO4S |
|---|---|
| Molecular Weight | 437.03 g/mol |
| LogP | 3.0438 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.02963 |
| Heavy Atoms | 26 |
| Complexity | 870.1177 |
Chemical Identifiers
| CAS Number | 877787-04-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)COC3=CC=CC=C3 |
Product Overview
N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide (CAS 877787-04-7), with molecular formula C19H20BrNO4S and molecular weight 437.03 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide.
Chemical Property Profile of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide
Property Insights of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide
The XLogP value of 3.0438 indicates that N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide. Following Lipinski's Rule of Five, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide has 0 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 N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide?
The CAS number of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide is 877787-04-7.
What is the molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide?
The molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide is C19H20BrNO4S.
What is the molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide?
The molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide is 437.03 g/mol.
Where can I buy N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide?
You can request a quote for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.