2-Chloro-5-methyl-1,3-benzoxazole
TL;DR: 2-Chloro-5-methyl-1,3-benzoxazole (CAS 3770-60-3) 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.
2-chloro-5-methyl-1,3-benzoxazole
Also Known As: 2-chloro-5-methyl-1,3-benzoxazole, 2-Chloro-5-methylbenzo[d]oxazole, 2-CHLORO-5-METHYLBENZOXAZOLE, 2-chloro-5-methyl-benzooxazole, chloro-5-methyl-benzooxazole
| Molecular Formula | C8H6ClNO |
|---|---|
| Molecular Weight | 167.01 g/mol |
| LogP | 2.78962 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.0138 |
| Heavy Atoms | 11 |
| Complexity | 393.89142 |
Chemical Identifiers
| CAS Number | 3770-60-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)Cl |
Product Overview
2-Chloro-5-methyl-1,3-benzoxazole (CAS 3770-60-3), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 2-chloro-5-methyl-1,3-benzoxazole.
Chemical Property Profile of 2-Chloro-5-methyl-1,3-benzoxazole
Property Insights of 2-Chloro-5-methyl-1,3-benzoxazole
The XLogP value of 2.78962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-methyl-1,3-benzoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 2-Chloro-5-methyl-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-methyl-1,3-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-Chloro-5-methyl-1,3-benzoxazole?
The CAS number of 2-Chloro-5-methyl-1,3-benzoxazole is 3770-60-3.
What is the molecular formula of 2-Chloro-5-methyl-1,3-benzoxazole?
The molecular formula of 2-Chloro-5-methyl-1,3-benzoxazole is C8H6ClNO.
What is the molecular weight of 2-Chloro-5-methyl-1,3-benzoxazole?
The molecular weight of 2-Chloro-5-methyl-1,3-benzoxazole is 167.01 g/mol.
Where can I buy 2-Chloro-5-methyl-1,3-benzoxazole?
You can request a quote for 2-Chloro-5-methyl-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-methyl-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-methyl-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.