3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
TL;DR: 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide (CAS 175204-42-9) is a chemical compound with molecular formula C11H8ClFN2OS and molecular weight 270.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbothioamide
Also Known As: Maybridge1_005836, 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carbothioamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbothioamide, 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-thiocarboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
| Molecular Formula | C11H8ClFN2OS |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | 3.07672 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.003 |
| Heavy Atoms | 17 |
| Complexity | 576.9025 |
Chemical Identifiers
| CAS Number | 175204-42-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=S)N |
Product Overview
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide (CAS 175204-42-9), with molecular formula C11H8ClFN2OS and molecular weight 270.00 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbothioamide.
Chemical Property Profile of 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
Property Insights of 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
The XLogP value of 3.07672 indicates that 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.05 Ų, 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide 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 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide?
The CAS number of 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide is 175204-42-9.
What is the molecular formula of 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide?
The molecular formula of 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide is C11H8ClFN2OS.
What is the molecular weight of 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide?
The molecular weight of 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide is 270.00 g/mol.
Where can I buy 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide?
You can request a quote for 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide 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)-5-methyl-4-isoxazolecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.