N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide (CAS 878427-58-8) is a chemical compound with molecular formula C11H12FNO3S and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide
Also Known As: N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide, BAS 12969600, N-(1,1-dioxothiolan-3-yl)(3-fluorophenyl)carboxamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-fluorobenzamide, F2545-0141
| Molecular Formula | C11H12FNO3S |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 0.7426 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0522 |
| Heavy Atoms | 17 |
| Complexity | 541.40247 |
Chemical Identifiers
| CAS Number | 878427-58-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)C2=CC(=CC=C2)F |
Product Overview
N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide (CAS 878427-58-8), with molecular formula C11H12FNO3S and molecular weight 257.05 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide
The XLogP value of 0.7426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide has 1 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 N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide is 878427-58-8.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide is C11H12FNO3S.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide is 257.05 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.