N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide
TL;DR: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide (CAS 877792-76-2) is a chemical compound with molecular formula C21H24BrNO6S and molecular weight 497.05 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)-3,4,5-trimethoxybenzamide
Also Known As: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,4,5-trimethoxy-benzamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,4,5-trimethoxybenzamide
| Molecular Formula | C21H24BrNO6S |
|---|---|
| Molecular Weight | 497.05 g/mol |
| LogP | 3.3044 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.05078 |
| Heavy Atoms | 30 |
| Complexity | 1014.5373 |
Chemical Identifiers
| CAS Number | 877792-76-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N(CC2=CC(=CC=C2)Br)C3CCS(=O)(=O)C3 |
Product Overview
N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide (CAS 877792-76-2), with molecular formula C21H24BrNO6S and molecular weight 497.05 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide
Property Insights of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide
The XLogP value of 3.3044 indicates that N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide has 0 hydrogen bond donor(s) and 6 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)-3,4,5-trimethoxybenzamide?
The CAS number of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide is 877792-76-2.
What is the molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide is C21H24BrNO6S.
What is the molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide is 497.05 g/mol.
Where can I buy N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide 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)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.