Benzoxazole, 2-(3,4-dichlorophenyl)-
TL;DR: Benzoxazole, 2-(3,4-dichlorophenyl)- (CAS 3164-12-3) 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.
2-(3,4-dichlorophenyl)-1,3-benzoxazole
Also Known As: 2-(3,4-Dichlorophenyl)benzoxazole, 2-(3,4-dichlorophenyl)-1,3-benzoxazole, 2-(3,4-dichlorophenyl)benzo[d]oxazole, BENZOXAZOLE, 2-(3,4-DICHLOROPHENYL)-, 4-27-00-01384 (Beilstein Handbook Reference)
| Molecular Formula | C13H7Cl2NO |
|---|---|
| Molecular Weight | 262.99 g/mol |
| LogP | 4.7 |
| 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 | 276.0 |
Chemical Identifiers
| CAS Number | 3164-12-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | DSLOEULHWIEJEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazole, 2-(3,4-dichlorophenyl)- (CAS 3164-12-3), with molecular formula C13H7Cl2NO and molecular weight 262.99 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(3,4-dichlorophenyl)-
Property Insights of Benzoxazole, 2-(3,4-dichlorophenyl)-
The XLogP value of 4.7 indicates that Benzoxazole, 2-(3,4-dichlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole, 2-(3,4-dichlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-(3,4-dichlorophenyl)- 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 Benzoxazole, 2-(3,4-dichlorophenyl)-?
The CAS number of Benzoxazole, 2-(3,4-dichlorophenyl)- is 3164-12-3.
What is the molecular formula of Benzoxazole, 2-(3,4-dichlorophenyl)-?
The molecular formula of Benzoxazole, 2-(3,4-dichlorophenyl)- is C13H7Cl2NO.
What is the molecular weight of Benzoxazole, 2-(3,4-dichlorophenyl)-?
The molecular weight of Benzoxazole, 2-(3,4-dichlorophenyl)- is 262.99 g/mol.
Where can I buy Benzoxazole, 2-(3,4-dichlorophenyl)-?
You can request a quote for Benzoxazole, 2-(3,4-dichlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-(3,4-dichlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(3,4-dichlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.