5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole
TL;DR: 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole (CAS 31007-74-6) is a chemical compound with molecular formula C10H6Cl3NO and molecular weight 260.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-3-(2,6-dichlorophenyl)-1,2-oxazole
Also Known As: 5-(chloromethyl)-3-(2,6-dichlorophenyl)isoxazole, 5-(chloromethyl)-3-(2,6-dichlorophenyl)-1,2-oxazole, Isoxazole, 5-(chloromethyl)-3-(2,6-dichlorophenyl)-, Isoxazole,5-(chloromethyl)-3-(2,6-dichlorophenyl)-, 3-(2,6-dichlorophenyl)-5-(chloromethyl)isoxazole
| Molecular Formula | C10H6Cl3NO |
|---|---|
| Molecular Weight | 260.95 g/mol |
| LogP | 4.3872 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.9515 |
| Heavy Atoms | 15 |
| Complexity | 461.01978 |
Chemical Identifiers
| CAS Number | 31007-74-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2=NOC(=C2)CCl)Cl |
Product Overview
5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole (CAS 31007-74-6), with molecular formula C10H6Cl3NO and molecular weight 260.95 g/mol. IUPAC: 5-(chloromethyl)-3-(2,6-dichlorophenyl)-1,2-oxazole.
Chemical Property Profile of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole
Property Insights of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole
The XLogP value of 4.3872 indicates that 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole has 0 hydrogen bond donor(s) and 2 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 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole?
The CAS number of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole is 31007-74-6.
What is the molecular formula of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole?
The molecular formula of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole is C10H6Cl3NO.
What is the molecular weight of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole?
The molecular weight of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole is 260.95 g/mol.
Where can I buy 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole?
You can request a quote for 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-3-(2,6-dichlorophenyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.