Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-
TL;DR: Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)- (CAS 6627-79-8) is a chemical compound with molecular formula C11H9ClN2O3 and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-1,3-oxazole
Also Known As: Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-1,3-oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)oxazole
| Molecular Formula | C11H9ClN2O3 |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.03017 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 6627-79-8 |
|---|---|
| SMILES | CC1=NC(=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])CCl |
| InChIKey | HRKKOOXTLYSJPF-UHFFFAOYSA-N |
Product Overview
Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)- (CAS 6627-79-8), with molecular formula C11H9ClN2O3 and molecular weight 252.03 g/mol. IUPAC: 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-1,3-oxazole.
Chemical Property Profile of Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-
Property Insights of Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-. Following Lipinski's Rule of Five, Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)- has 0 hydrogen bond donor(s) and 4 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 Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-?
The CAS number of Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)- is 6627-79-8.
What is the molecular formula of Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-?
The molecular formula of Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)- is C11H9ClN2O3.
What is the molecular weight of Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-?
The molecular weight of Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)- is 252.03 g/mol.
Where can I buy Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-?
You can request a quote for Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Oxazole, 4-(chloromethyl)-2-methyl-5-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.