![3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide structure](/static/products/6802/680211-94-3.webp)
3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide
TL;DR: 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide (CAS 680211-94-3) is a chemical compound with molecular formula C18H16ClFN2O3S and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide, 3-(2-Chloro-6-fluorophenyl)-N-{2-[(fur-2-ylmethyl)thio]ethyl}-5-methylisoxazole-4-carboxamide, 3-(2-Chloro-6-fluorophenyl)-n-(2-[(fur-2-ylmethyl)thio]ethyl)-5-methylisoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide, 3-(2-Chloro-6-fluorophenyl)-N-(2-((furan-2-ylmethyl)thio)ethyl)-5-methylisoxazole-4-carboxamide
| Molecular Formula | C18H16ClFN2O3S |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 4.69872 |
| Topological Polar Surface Area | 68.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.05542 |
| Heavy Atoms | 26 |
| Complexity | 875.7357 |
Chemical Identifiers
| CAS Number | 680211-94-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCSCC3=CC=CO3 |
Product Overview
3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide (CAS 680211-94-3), with molecular formula C18H16ClFN2O3S and molecular weight 394.06 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide
Property Insights of 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide
The XLogP value of 4.69872 indicates that 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide has 1 hydrogen bond donor(s) and 5 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 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide?
The CAS number of 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide is 680211-94-3.
What is the molecular formula of 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide?
The molecular formula of 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide is C18H16ClFN2O3S.
What is the molecular weight of 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide?
The molecular weight of 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide is 394.06 g/mol.
Where can I buy 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide?
You can request a quote for 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-fluorophenyl)-N-(2-{[(fur-2-yl)methyl]sulphanyl}ethyl)-5-methylisoxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.