1-(2'-Benzoxazolyl)-1,2,4-triazole
TL;DR: 1-(2'-Benzoxazolyl)-1,2,4-triazole (CAS 168788-32-7) is a chemical compound with molecular formula C9H6N4O and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-yl)-1,3-benzoxazole
Also Known As: 2-(1,2,4-triazol-1-yl)benzooxazole, 1-(2'-benzoxazolyl)-1,2,4-triazole, Benzoxazole, 2-(1H-1,2,4-triazol-1-yl)-, 2-(1H-1,2,4-triazol-1-yl)-1,3-benzoxazole
| Molecular Formula | C9H6N4O |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 1.4085 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.05415 |
| Heavy Atoms | 14 |
| Complexity | 521.97345 |
Chemical Identifiers
| CAS Number | 168788-32-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)N3C=NC=N3 |
Product Overview
1-(2'-Benzoxazolyl)-1,2,4-triazole (CAS 168788-32-7), with molecular formula C9H6N4O and molecular weight 186.05 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)-1,3-benzoxazole.
Chemical Property Profile of 1-(2'-Benzoxazolyl)-1,2,4-triazole
Property Insights of 1-(2'-Benzoxazolyl)-1,2,4-triazole
The XLogP value of 1.4085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2'-Benzoxazolyl)-1,2,4-triazole. With a topological polar surface area (TPSA) of 56.74 Ų, 1-(2'-Benzoxazolyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2'-Benzoxazolyl)-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 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 1-(2'-Benzoxazolyl)-1,2,4-triazole?
The CAS number of 1-(2'-Benzoxazolyl)-1,2,4-triazole is 168788-32-7.
What is the molecular formula of 1-(2'-Benzoxazolyl)-1,2,4-triazole?
The molecular formula of 1-(2'-Benzoxazolyl)-1,2,4-triazole is C9H6N4O.
What is the molecular weight of 1-(2'-Benzoxazolyl)-1,2,4-triazole?
The molecular weight of 1-(2'-Benzoxazolyl)-1,2,4-triazole is 186.05 g/mol.
Where can I buy 1-(2'-Benzoxazolyl)-1,2,4-triazole?
You can request a quote for 1-(2'-Benzoxazolyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2'-Benzoxazolyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2'-Benzoxazolyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.