![4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole structure](/static/products/100/1001615-77-5.png)
4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole
TL;DR: 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole (CAS 1001615-77-5) is a chemical compound with molecular formula C12H11ClN2O4 and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole
Also Known As: Isoxazole, 4-[(2-chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-, 4-[(2-chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole
| Molecular Formula | C12H11ClN2O4 |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 3.43204 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.04074 |
| Heavy Atoms | 19 |
| Complexity | 604.6871 |
Chemical Identifiers
| CAS Number | 1001615-77-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole (CAS 1001615-77-5), with molecular formula C12H11ClN2O4 and molecular weight 282.04 g/mol. IUPAC: 4-[(2-chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole
Property Insights of 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole
The XLogP value of 3.43204 indicates that 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole. Following Lipinski's Rule of Five, 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole 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 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The CAS number of 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole is 1001615-77-5.
What is the molecular formula of 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The molecular formula of 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole is C12H11ClN2O4.
What is the molecular weight of 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
The molecular weight of 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole is 282.04 g/mol.
Where can I buy 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
You can request a quote for 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chloro-4-nitrophenoxy)methyl]-3,5-dimethyl-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.