4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide
TL;DR: 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide (CAS 579440-41-8) is a chemical compound with molecular formula C18H17BrClNO3S and molecular weight 440.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
Also Known As: 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide, AF-399/42093046, 4-bromo-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide, 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
| Molecular Formula | C18H17BrClNO3S |
|---|---|
| Molecular Weight | 440.98 g/mol |
| LogP | 3.932 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.9801 |
| Heavy Atoms | 25 |
| Complexity | 866.1991 |
Chemical Identifiers
| CAS Number | 579440-41-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Br |
Product Overview
4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide (CAS 579440-41-8), with molecular formula C18H17BrClNO3S and molecular weight 440.98 g/mol. IUPAC: 4-bromo-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide.
Chemical Property Profile of 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide
Property Insights of 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide
The XLogP value of 3.932 indicates that 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide has 0 hydrogen bond donor(s) and 3 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 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
The CAS number of 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide is 579440-41-8.
What is the molecular formula of 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
The molecular formula of 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide is C18H17BrClNO3S.
What is the molecular weight of 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
The molecular weight of 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide is 440.98 g/mol.
Where can I buy 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
You can request a quote for 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.