2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole
TL;DR: 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole (CAS 352545-18-7) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-(4-methyl-3-nitrophenyl)-5H-1,3-oxazole
Also Known As: 2-{3-nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole, 4,4-dimethyl-2-(4-methyl-3-nitrophenyl)-5H-1,3-oxazole
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 352545-18-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC(CO2)(C)C)[N+](=O)[O-] |
| InChIKey | VEVSUBRJQDPOBA-UHFFFAOYSA-N |
Product Overview
2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole (CAS 352545-18-7), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: 4,4-dimethyl-2-(4-methyl-3-nitrophenyl)-5H-1,3-oxazole.
Chemical Property Profile of 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Property Insights of 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole. Following Lipinski's Rule of Five, 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole 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 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
The CAS number of 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole is 352545-18-7.
What is the molecular formula of 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
The molecular formula of 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole is C12H14N2O3.
What is the molecular weight of 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
The molecular weight of 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole is 234.10 g/mol.
Where can I buy 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
You can request a quote for 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-Nitro-4-methylphenyl}-4,4-dimethyl-4,5-dihydro-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.