![4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide structure](/static/products/5776/577696-39-0.webp)
4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide
TL;DR: 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide (CAS 577696-39-0) is a chemical compound with molecular formula C21H24BrNO3S and molecular weight 449.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]benzamide
Also Known As: 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide, 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]benzamide, 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-isopropylbenzyl)benzamide
| Molecular Formula | C21H24BrNO3S |
|---|---|
| Molecular Weight | 449.07 g/mol |
| LogP | 4.402 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.06604 |
| Heavy Atoms | 27 |
| Complexity | 905.4478 |
Chemical Identifiers
| CAS Number | 577696-39-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)Br |
Product Overview
4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide (CAS 577696-39-0), with molecular formula C21H24BrNO3S and molecular weight 449.07 g/mol. IUPAC: 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]benzamide.
Chemical Property Profile of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide
Property Insights of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide
The XLogP value of 4.402 indicates that 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]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-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]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-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide?
The CAS number of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide is 577696-39-0.
What is the molecular formula of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide?
The molecular formula of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide is C21H24BrNO3S.
What is the molecular weight of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide?
The molecular weight of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide is 449.07 g/mol.
Where can I buy 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide?
You can request a quote for 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]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-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.