5-Chloro-2-methylbenzoxazole
TL;DR: 5-Chloro-2-methylbenzoxazole (CAS 19219-99-9) is a chemical compound with molecular formula C8H6ClNO and molecular weight 167.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methyl-1,3-benzoxazole
Also Known As: 5-Chloro-2-methylbenzoxazole, 5-Chloro-2-methylbenzo[d]oxazole, 2-Methyl-5-chlorobenzoxazole, 5-Chloro-2-methyl-1,3-benzoxazole, BENZOXAZOLE, 5-CHLORO-2-METHYL-
| Molecular Formula | C8H6ClNO |
|---|---|
| Molecular Weight | 167.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.0138 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 19219-99-9 |
|---|---|
| SMILES | CC1=NC2=C(O1)C=CC(=C2)Cl |
| InChIKey | HJCIGAUHTJBHBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-methylbenzoxazole (CAS 19219-99-9), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 5-chloro-2-methyl-1,3-benzoxazole.
Chemical Property Profile of 5-Chloro-2-methylbenzoxazole
Property Insights of 5-Chloro-2-methylbenzoxazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-methylbenzoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 5-Chloro-2-methylbenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-methylbenzoxazole 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-Chloro-2-methylbenzoxazole?
The CAS number of 5-Chloro-2-methylbenzoxazole is 19219-99-9.
What is the molecular formula of 5-Chloro-2-methylbenzoxazole?
The molecular formula of 5-Chloro-2-methylbenzoxazole is C8H6ClNO.
What is the molecular weight of 5-Chloro-2-methylbenzoxazole?
The molecular weight of 5-Chloro-2-methylbenzoxazole is 167.01 g/mol.
Where can I buy 5-Chloro-2-methylbenzoxazole?
You can request a quote for 5-Chloro-2-methylbenzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-methylbenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methylbenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.