2-Ethyl-6-nitro-1,3-benzoxazole
TL;DR: 2-Ethyl-6-nitro-1,3-benzoxazole (CAS 13243-39-5) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-6-nitro-1,3-benzoxazole
Also Known As: 2-ethyl-6-nitro-1,3-benzoxazole, 2-ethyl-6-nitrobenzoxazole, 2-Ethyl-6-nitrobenzo[d]oxazole, Benzoxazole, 2-ethyl-6-nitro-, 5971AA
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 2.2984 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 489.76276 |
Chemical Identifiers
| CAS Number | 13243-39-5 |
|---|---|
| SMILES | CCC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Ethyl-6-nitro-1,3-benzoxazole (CAS 13243-39-5), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: 2-ethyl-6-nitro-1,3-benzoxazole.
Chemical Property Profile of 2-Ethyl-6-nitro-1,3-benzoxazole
Property Insights of 2-Ethyl-6-nitro-1,3-benzoxazole
The XLogP value of 2.2984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-6-nitro-1,3-benzoxazole. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-6-nitro-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-Ethyl-6-nitro-1,3-benzoxazole 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-Ethyl-6-nitro-1,3-benzoxazole?
The CAS number of 2-Ethyl-6-nitro-1,3-benzoxazole is 13243-39-5.
What is the molecular formula of 2-Ethyl-6-nitro-1,3-benzoxazole?
The molecular formula of 2-Ethyl-6-nitro-1,3-benzoxazole is C9H8N2O3.
What is the molecular weight of 2-Ethyl-6-nitro-1,3-benzoxazole?
The molecular weight of 2-Ethyl-6-nitro-1,3-benzoxazole is 192.05 g/mol.
Where can I buy 2-Ethyl-6-nitro-1,3-benzoxazole?
You can request a quote for 2-Ethyl-6-nitro-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-6-nitro-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-6-nitro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.