5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
TL;DR: 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 431933-15-2) is a chemical compound with molecular formula C16H12ClN3O5 and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Also Known As: 5-(2-chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
| Molecular Formula | C16H12ClN3O5 |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 3.9824 |
| Topological Polar Surface Area | 100.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.04654 |
| Heavy Atoms | 25 |
| Complexity | 941.26965 |
Chemical Identifiers
| CAS Number | 431933-15-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NOC(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC |
Product Overview
5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 431933-15-2), with molecular formula C16H12ClN3O5 and molecular weight 361.05 g/mol. IUPAC: 5-(2-chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Property Insights of 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
The XLogP value of 3.9824 indicates that 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 7 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-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The CAS number of 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 431933-15-2.
What is the molecular formula of 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is C16H12ClN3O5.
What is the molecular weight of 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 361.05 g/mol.
Where can I buy 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-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-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-5-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.