2,1-苯并异𫫇唑
TL;DR: 2,1-苯并异𫫇唑 (CAS 271-58-9) is a chemical compound with molecular formula C7H5NO and molecular weight 119.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1-苯并异𫫇唑
2,1-benzoxazole
Also Known As: Anthranil, 2,1-Benzisoxazole, 2,1-benzoxazole, BENZO[C]ISOXAZOLE, Benz(c)isoxazole
| Molecular Formula | C7H5NO |
|---|---|
| Molecular Weight | 119.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.03712 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 271-58-9 |
|---|---|
| SMILES | C1=CC2=CON=C2C=C1 |
| InChIKey | FZKCAHQKNJXICB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,1-苯并异𫫇唑 (CAS 271-58-9), with molecular formula C7H5NO and molecular weight 119.04 g/mol. IUPAC: 2,1-benzoxazole.
Chemical Property Profile of 2,1-苯并异𫫇唑
Property Insights of 2,1-苯并异𫫇唑
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1-苯并异𫫇唑. With a topological polar surface area (TPSA) of 26.0 Ų, 2,1-苯并异𫫇唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1-苯并异𫫇唑 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 2,1-苯并异𫫇唑?
The CAS number of 2,1-苯并异𫫇唑 is 271-58-9.
What is the molecular formula of 2,1-苯并异𫫇唑?
The molecular formula of 2,1-苯并异𫫇唑 is C7H5NO.
What is the molecular weight of 2,1-苯并异𫫇唑?
The molecular weight of 2,1-苯并异𫫇唑 is 119.04 g/mol.
Where can I buy 2,1-苯并异𫫇唑?
You can request a quote for 2,1-苯并异𫫇唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1-苯并异𫫇唑?
Yes, KEHONG BIO provides custom synthesis services for 2,1-苯并异𫫇唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.