![6-[(E)-2-nitroethenyl]-1,3-benzoxazole structure](/static/products/478/478909-91-0.png)
6-[(E)-2-nitroethenyl]-1,3-benzoxazole
TL;DR: 6-[(E)-2-nitroethenyl]-1,3-benzoxazole (CAS 478909-91-0) is a chemical compound with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-2-nitroethenyl]-1,3-benzoxazole
Also Known As: Benzoxazole, 6-(2-nitroethenyl)-, 6-[(E)-2-nitroethenyl]benzooxazole
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 2.0752 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 501.4813 |
Chemical Identifiers
| CAS Number | 478909-91-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1/C=C/[N+](=O)[O-])OC=N2 |
Product Overview
6-[(E)-2-nitroethenyl]-1,3-benzoxazole (CAS 478909-91-0), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 6-[(E)-2-nitroethenyl]-1,3-benzoxazole.
Chemical Property Profile of 6-[(E)-2-nitroethenyl]-1,3-benzoxazole
Property Insights of 6-[(E)-2-nitroethenyl]-1,3-benzoxazole
The XLogP value of 2.0752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(E)-2-nitroethenyl]-1,3-benzoxazole. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(E)-2-nitroethenyl]-1,3-benzoxazole. Following Lipinski's Rule of Five, 6-[(E)-2-nitroethenyl]-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 6-[(E)-2-nitroethenyl]-1,3-benzoxazole?
The CAS number of 6-[(E)-2-nitroethenyl]-1,3-benzoxazole is 478909-91-0.
What is the molecular formula of 6-[(E)-2-nitroethenyl]-1,3-benzoxazole?
The molecular formula of 6-[(E)-2-nitroethenyl]-1,3-benzoxazole is C9H6N2O3.
What is the molecular weight of 6-[(E)-2-nitroethenyl]-1,3-benzoxazole?
The molecular weight of 6-[(E)-2-nitroethenyl]-1,3-benzoxazole is 190.04 g/mol.
Where can I buy 6-[(E)-2-nitroethenyl]-1,3-benzoxazole?
You can request a quote for 6-[(E)-2-nitroethenyl]-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 6-[(E)-2-nitroethenyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 6-[(E)-2-nitroethenyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.