N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
TL;DR: N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 620554-77-0) is a chemical compound with molecular formula C22H27NO4S and molecular weight 401.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-butoxy-N-(1,1-dioxothiolan-3-yl)benzamide
Also Known As: N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide, N-benzyl-4-butoxy-N-(1,1-dioxothiolan-3-yl)benzamide
| Molecular Formula | C22H27NO4S |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 3.695 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.16608 |
| Heavy Atoms | 28 |
| Complexity | 878.5126 |
Chemical Identifiers
| CAS Number | 620554-77-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3 |
Product Overview
N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 620554-77-0), with molecular formula C22H27NO4S and molecular weight 401.17 g/mol. IUPAC: N-benzyl-4-butoxy-N-(1,1-dioxothiolan-3-yl)benzamide.
Chemical Property Profile of N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Property Insights of N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
The XLogP value of 3.695 indicates that N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide 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-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide. Following Lipinski's Rule of Five, N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide 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-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The CAS number of N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 620554-77-0.
What is the molecular formula of N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular formula of N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is C22H27NO4S.
What is the molecular weight of N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular weight of N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 401.17 g/mol.
Where can I buy N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
You can request a quote for N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-butoxy-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.