![5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole structure](/static/products/4296/429629-75-4.webp)
5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 429629-75-4) is a chemical compound with molecular formula C16H12ClN3O4 and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: AB00110732-01, 5-[(4-chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole, 5-((4-chloro-3-methylphenoxy)methyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
| Molecular Formula | C16H12ClN3O4 |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.05164 |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 429629-75-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | NPQYCHNNTFJMLQ-UHFFFAOYSA-N |
Product Overview
5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 429629-75-4), with molecular formula C16H12ClN3O4 and molecular weight 345.05 g/mol. IUPAC: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 4.1 indicates that 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 6 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-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole is 429629-75-4.
What is the molecular formula of 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole is C16H12ClN3O4.
What is the molecular weight of 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole is 345.05 g/mol.
Where can I buy 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-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-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Chloro-3-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.