N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide
TL;DR: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide (CAS 862245-95-2) is a chemical compound with molecular formula C21H24BrNO4S and molecular weight 465.06 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)-3-propoxybenzamide
Also Known As: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-propoxy-benzamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-propoxybenzamide
| Molecular Formula | C21H24BrNO4S |
|---|---|
| Molecular Weight | 465.06 g/mol |
| LogP | 4.0674 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.06094 |
| Heavy Atoms | 28 |
| Complexity | 944.9267 |
Chemical Identifiers
| CAS Number | 862245-95-2 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)C(=O)N(CC2=CC(=CC=C2)Br)C3CCS(=O)(=O)C3 |
Product Overview
N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide (CAS 862245-95-2), with molecular formula C21H24BrNO4S and molecular weight 465.06 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-propoxybenzamide.
Chemical Property Profile of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide
Property Insights of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide
The XLogP value of 4.0674 indicates that N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide 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)-3-propoxybenzamide. Following Lipinski's Rule of Five, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide 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)-3-propoxybenzamide?
The CAS number of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide is 862245-95-2.
What is the molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide?
The molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide is C21H24BrNO4S.
What is the molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide?
The molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide is 465.06 g/mol.
Where can I buy N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide?
You can request a quote for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide 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)-3-propoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-propoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.