3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
TL;DR: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride (CAS 69399-79-7) is a chemical compound with molecular formula C11H6Cl2FNO2 and molecular weight 272.98 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-carbonyl chloride
Also Known As: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride, Fcimic chloride, Fcmic chloride, Manozodil, EINECS 273-987-0
| Molecular Formula | C11H6Cl2FNO2 |
|---|---|
| Molecular Weight | 272.98 g/mol |
| LogP | 3.82152 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.97595 |
| Heavy Atoms | 17 |
| Complexity | 574.9025 |
Chemical Identifiers
| CAS Number | 69399-79-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)Cl |
Product Overview
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride (CAS 69399-79-7), with molecular formula C11H6Cl2FNO2 and molecular weight 272.98 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride.
Chemical Property Profile of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
Property Insights of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
The XLogP value of 3.82152 indicates that 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride has 0 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-methylisoxazole-4-carbonyl chloride?
The CAS number of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride is 69399-79-7.
What is the molecular formula of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride?
The molecular formula of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride is C11H6Cl2FNO2.
What is the molecular weight of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride?
The molecular weight of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride is 272.98 g/mol.
Where can I buy 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride?
You can request a quote for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride 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-methylisoxazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.