(4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
TL;DR: (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 433307-91-6) is a chemical compound with molecular formula C18H13ClN2O5 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: (4-nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, A3049/0128745, 4-nitrobenzyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate, 4-nitrobenzyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
| Molecular Formula | C18H13ClN2O5 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 4.56862 |
| Topological Polar Surface Area | 95.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.0513 |
| Heavy Atoms | 26 |
| Complexity | 965.9677 |
Chemical Identifiers
| CAS Number | 433307-91-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 433307-91-6), with molecular formula C18H13ClN2O5 and molecular weight 372.05 g/mol. IUPAC: (4-nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Property Insights of (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
The XLogP value of 4.56862 indicates that (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate 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 (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The CAS number of (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 433307-91-6.
What is the molecular formula of (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The molecular formula of (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is C18H13ClN2O5.
What is the molecular weight of (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The molecular weight of (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 372.05 g/mol.
Where can I buy (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
You can request a quote for (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.