4,7-Methanobenzoxazole
TL;DR: 4,7-Methanobenzoxazole (CAS 7085-39-4) is a chemical compound with molecular formula C8H5NO and molecular weight 131.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxa-5-azatricyclo[5.2.1.02,6]deca-1,4,6,8-tetraene
Also Known As: 4,7-Methanobenzoxazole, 4,7-Methano-1,3-benzoxazole, 4,7-Methanobenzoxazole(8CI,9CI), 5-Chlor-4-hydroxy-3-aethoxy-benzaldehyd
| Molecular Formula | C8H5NO |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | -0.0505 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.03711 |
| Heavy Atoms | 10 |
| Complexity | 397.5678 |
Chemical Identifiers
| CAS Number | 7085-39-4 |
|---|---|
| SMILES | C1C2=C3C(=C1C=C2)OC=N3 |
Product Overview
4,7-Methanobenzoxazole (CAS 7085-39-4), with molecular formula C8H5NO and molecular weight 131.04 g/mol. IUPAC: 3-oxa-5-azatricyclo[5.2.1.02,6]deca-1,4,6,8-tetraene.
Chemical Property Profile of 4,7-Methanobenzoxazole
Property Insights of 4,7-Methanobenzoxazole
The XLogP value of -0.0505 indicates that 4,7-Methanobenzoxazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.03 Ų, 4,7-Methanobenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Methanobenzoxazole has 0 hydrogen bond donor(s) and 2 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 4,7-Methanobenzoxazole?
The CAS number of 4,7-Methanobenzoxazole is 7085-39-4.
What is the molecular formula of 4,7-Methanobenzoxazole?
The molecular formula of 4,7-Methanobenzoxazole is C8H5NO.
What is the molecular weight of 4,7-Methanobenzoxazole?
The molecular weight of 4,7-Methanobenzoxazole is 131.04 g/mol.
Where can I buy 4,7-Methanobenzoxazole?
You can request a quote for 4,7-Methanobenzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methanobenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methanobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.