2-(3-Chlorophenyl)benzoxazole
TL;DR: 2-(3-Chlorophenyl)benzoxazole (CAS 22868-29-7) is a chemical compound with molecular formula C13H8ClNO and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-1,3-benzoxazole
Also Known As: 2-(3-Chlorophenyl)benzoxazole, 2-(3-chlorophenyl)-1,3-benzoxazole, Benzoxazole,2-(3-chlorophenyl)-, AMTSi014, 2-(3-chlorophenyl)benzo[d]oxazole
| Molecular Formula | C13H8ClNO |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.02943 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 22868-29-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)Cl |
| InChIKey | YWFLVBNFDFMBIH-UHFFFAOYSA-N |
Product Overview
2-(3-Chlorophenyl)benzoxazole (CAS 22868-29-7), with molecular formula C13H8ClNO and molecular weight 229.03 g/mol. IUPAC: 2-(3-chlorophenyl)-1,3-benzoxazole.
Chemical Property Profile of 2-(3-Chlorophenyl)benzoxazole
Property Insights of 2-(3-Chlorophenyl)benzoxazole
The XLogP value of 4.1 indicates that 2-(3-Chlorophenyl)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, 2-(3-Chlorophenyl)benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorophenyl)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 2-(3-Chlorophenyl)benzoxazole?
The CAS number of 2-(3-Chlorophenyl)benzoxazole is 22868-29-7.
What is the molecular formula of 2-(3-Chlorophenyl)benzoxazole?
The molecular formula of 2-(3-Chlorophenyl)benzoxazole is C13H8ClNO.
What is the molecular weight of 2-(3-Chlorophenyl)benzoxazole?
The molecular weight of 2-(3-Chlorophenyl)benzoxazole is 229.03 g/mol.
Where can I buy 2-(3-Chlorophenyl)benzoxazole?
You can request a quote for 2-(3-Chlorophenyl)benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorophenyl)benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorophenyl)benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.