Benzoxazole, 5-chloro-2-phenyl-
TL;DR: Benzoxazole, 5-chloro-2-phenyl- (CAS 1019-90-5) 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.
5-chloro-2-phenyl-1,3-benzoxazole
Also Known As: 5-chloro-2-phenyl-1,3-benzoxazole, Benzoxazole, 5-chloro-2-phenyl-, 5-chloro-2-phenylbenzoxazole, 5-chloro-2-phenylbenzo[d]oxazole, 2-phenyl-5-chlorobenzoxazole
| 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 | 242.0 |
Chemical Identifiers
| CAS Number | 1019-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl |
| InChIKey | UVIBAJPAVLHXIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazole, 5-chloro-2-phenyl- (CAS 1019-90-5), with molecular formula C13H8ClNO and molecular weight 229.03 g/mol. IUPAC: 5-chloro-2-phenyl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 5-chloro-2-phenyl-
Property Insights of Benzoxazole, 5-chloro-2-phenyl-
The XLogP value of 4.1 indicates that Benzoxazole, 5-chloro-2-phenyl- 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, 5-chloro-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 5-chloro-2-phenyl- 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, 5-chloro-2-phenyl-?
The CAS number of Benzoxazole, 5-chloro-2-phenyl- is 1019-90-5.
What is the molecular formula of Benzoxazole, 5-chloro-2-phenyl-?
The molecular formula of Benzoxazole, 5-chloro-2-phenyl- is C13H8ClNO.
What is the molecular weight of Benzoxazole, 5-chloro-2-phenyl-?
The molecular weight of Benzoxazole, 5-chloro-2-phenyl- is 229.03 g/mol.
Where can I buy Benzoxazole, 5-chloro-2-phenyl-?
You can request a quote for Benzoxazole, 5-chloro-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 5-chloro-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 5-chloro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.