![5-Nitro-2-p-tolylbenzo[d]oxazole structure](/static/products/1126/112606-69-6.webp)
5-Nitro-2-p-tolylbenzo[d]oxazole
TL;DR: 5-Nitro-2-p-tolylbenzo[d]oxazole (CAS 112606-69-6) is a chemical compound with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-5-nitro-1,3-benzoxazole
Also Known As: 5-Nitro-2-p-tolyl-benzooxazole, 5-Nitro-2-(p-tolyl)benzoxazole, 5-nitro-2-p-tolylbenzo[d]oxazole, 2-(4-Methylphenyl)-5-nitrobenzoxazole, 2-(p-Methylphenyl)-5-nitrobenzoxazole
| Molecular Formula | C14H10N2O3 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 3.71142 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.06914 |
| Heavy Atoms | 19 |
| Complexity | 759.96204 |
Chemical Identifiers
| CAS Number | 112606-69-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
5-Nitro-2-p-tolylbenzo[d]oxazole (CAS 112606-69-6), with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol. IUPAC: 2-(4-methylphenyl)-5-nitro-1,3-benzoxazole.
Chemical Property Profile of 5-Nitro-2-p-tolylbenzo[d]oxazole
Property Insights of 5-Nitro-2-p-tolylbenzo[d]oxazole
The XLogP value of 3.71142 indicates that 5-Nitro-2-p-tolylbenzo[d]oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-p-tolylbenzo[d]oxazole. Following Lipinski's Rule of Five, 5-Nitro-2-p-tolylbenzo[d]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 5-Nitro-2-p-tolylbenzo[d]oxazole?
The CAS number of 5-Nitro-2-p-tolylbenzo[d]oxazole is 112606-69-6.
What is the molecular formula of 5-Nitro-2-p-tolylbenzo[d]oxazole?
The molecular formula of 5-Nitro-2-p-tolylbenzo[d]oxazole is C14H10N2O3.
What is the molecular weight of 5-Nitro-2-p-tolylbenzo[d]oxazole?
The molecular weight of 5-Nitro-2-p-tolylbenzo[d]oxazole is 254.07 g/mol.
Where can I buy 5-Nitro-2-p-tolylbenzo[d]oxazole?
You can request a quote for 5-Nitro-2-p-tolylbenzo[d]oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-p-tolylbenzo[d]oxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-p-tolylbenzo[d]oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.