5,6-Dichloro-3-phenyl-2,1-benzoxazole
TL;DR: 5,6-Dichloro-3-phenyl-2,1-benzoxazole (CAS 837-57-0) is a chemical compound with molecular formula C13H7Cl2NO and molecular weight 262.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dichloro-3-phenyl-2,1-benzoxazole
Also Known As: 5,6-dichloro-3-phenyl-2,1-benzoxazole, 5,6-dichloro-3-phenylbenzo[c]isoxazole, 5,6-Dichloro-3-phenyl-benzo[c]isoxazole, 5,6-Dichloro-3-phenyl-2,1-benzisoxazole #, A2669/0113677
| Molecular Formula | C13H7Cl2NO |
|---|---|
| Molecular Weight | 262.99 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.99048 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 837-57-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C=C(C(=CC3=NO2)Cl)Cl |
| InChIKey | UFTZAJXRFRWTTN-UHFFFAOYSA-N |
Product Overview
5,6-Dichloro-3-phenyl-2,1-benzoxazole (CAS 837-57-0), with molecular formula C13H7Cl2NO and molecular weight 262.99 g/mol. IUPAC: 5,6-dichloro-3-phenyl-2,1-benzoxazole.
Chemical Property Profile of 5,6-Dichloro-3-phenyl-2,1-benzoxazole
Property Insights of 5,6-Dichloro-3-phenyl-2,1-benzoxazole
The XLogP value of 4.6 indicates that 5,6-Dichloro-3-phenyl-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 5,6-Dichloro-3-phenyl-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dichloro-3-phenyl-2,1-benzoxazole 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 5,6-Dichloro-3-phenyl-2,1-benzoxazole?
The CAS number of 5,6-Dichloro-3-phenyl-2,1-benzoxazole is 837-57-0.
What is the molecular formula of 5,6-Dichloro-3-phenyl-2,1-benzoxazole?
The molecular formula of 5,6-Dichloro-3-phenyl-2,1-benzoxazole is C13H7Cl2NO.
What is the molecular weight of 5,6-Dichloro-3-phenyl-2,1-benzoxazole?
The molecular weight of 5,6-Dichloro-3-phenyl-2,1-benzoxazole is 262.99 g/mol.
Where can I buy 5,6-Dichloro-3-phenyl-2,1-benzoxazole?
You can request a quote for 5,6-Dichloro-3-phenyl-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dichloro-3-phenyl-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dichloro-3-phenyl-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.