Benzoxazole, 6-chloro-2-methyl-
TL;DR: Benzoxazole, 6-chloro-2-methyl- (CAS 63816-18-2) 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.
6-chloro-2-methyl-1,3-benzoxazole
Also Known As: 6-Chloro-2-methylbenzo[d]oxazole, 6-Chloro-2-methylbenzoxazole, 6-chloro-2-methyl-1,3-benzoxazole, Benzoxazole, 6-chloro-2-methyl-, 6-chloro-2-methyl-benzoxazole
| 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 | 63816-18-2 |
|---|---|
| SMILES | CC1=NC2=C(O1)C=C(C=C2)Cl |
| InChIKey | LAZJZCLGDISMLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazole, 6-chloro-2-methyl- (CAS 63816-18-2), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 6-chloro-2-methyl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 6-chloro-2-methyl-
Property Insights of Benzoxazole, 6-chloro-2-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazole, 6-chloro-2-methyl-. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole, 6-chloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 6-chloro-2-methyl- 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, 6-chloro-2-methyl-?
The CAS number of Benzoxazole, 6-chloro-2-methyl- is 63816-18-2.
What is the molecular formula of Benzoxazole, 6-chloro-2-methyl-?
The molecular formula of Benzoxazole, 6-chloro-2-methyl- is C8H6ClNO.
What is the molecular weight of Benzoxazole, 6-chloro-2-methyl-?
The molecular weight of Benzoxazole, 6-chloro-2-methyl- is 167.01 g/mol.
Where can I buy Benzoxazole, 6-chloro-2-methyl-?
You can request a quote for Benzoxazole, 6-chloro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 6-chloro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 6-chloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.