5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole (CAS 6595-78-4) is a chemical compound with molecular formula C9H6ClN3O3 and molecular weight 239.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 5-(chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole, C14Ceramide, 5-Chloromethyl-3-(3-nitro-phenyl)-[1,2,4]oxadiazole, I14-98929, 1,2,4-Oxadiazole,5-(chloromethyl)-3-(3-nitrophenyl)-
| Molecular Formula | C9H6ClN3O3 |
|---|---|
| Molecular Weight | 239.01 g/mol |
| LogP | 2.3836 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.00977 |
| Heavy Atoms | 16 |
| Complexity | 526.2227 |
Chemical Identifiers
| CAS Number | 6595-78-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)CCl |
Product Overview
5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole (CAS 6595-78-4), with molecular formula C9H6ClN3O3 and molecular weight 239.01 g/mol. IUPAC: 5-(chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 2.3836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole has 0 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 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole is 6595-78-4.
What is the molecular formula of 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole is C9H6ClN3O3.
What is the molecular weight of 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole is 239.01 g/mol.
Where can I buy 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole 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-(3-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.