N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide
TL;DR: N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide (CAS 620554-62-3) is a chemical compound with molecular formula C18H18FNO3S and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
Also Known As: N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide, N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
| Molecular Formula | C18H18FNO3S |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.09915 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 620554-62-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F |
| InChIKey | HVBIHGTZJGTVJC-UHFFFAOYSA-N |
Product Overview
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide (CAS 620554-62-3), with molecular formula C18H18FNO3S and molecular weight 347.10 g/mol. IUPAC: N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide.
Chemical Property Profile of N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide
Property Insights of N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide 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-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide?
The CAS number of N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide is 620554-62-3.
What is the molecular formula of N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide?
The molecular formula of N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide is C18H18FNO3S.
What is the molecular weight of N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide?
The molecular weight of N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide is 347.10 g/mol.
Where can I buy N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide?
You can request a quote for N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.