Hexazole
TL;DR: Hexazole (CAS 4671-03-8) is a chemical compound with molecular formula C10H17N3 and molecular weight 179.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-3-ethyl-1,2,4-triazole
Also Known As: Hexazole, Azoman, Hexazole [BAN], Triazol Ingelheim, HEXAZOLE [MI]
| Molecular Formula | C10H17N3 |
|---|---|
| Molecular Weight | 179.14 g/mol |
| LogP | 2.3457 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.14224 |
| Heavy Atoms | 13 |
| Complexity | 260.8885 |
Chemical Identifiers
| CAS Number | 4671-03-8 |
|---|---|
| SMILES | CCC1=NN=CN1C2CCCCC2 |
Product Overview
Hexazole (CAS 4671-03-8), with molecular formula C10H17N3 and molecular weight 179.14 g/mol. IUPAC: 4-cyclohexyl-3-ethyl-1,2,4-triazole.
Chemical Property Profile of Hexazole
Property Insights of Hexazole
The XLogP value of 2.3457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexazole. With a topological polar surface area (TPSA) of 30.71 Ų, Hexazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexazole 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 Hexazole?
The CAS number of Hexazole is 4671-03-8.
What is the molecular formula of Hexazole?
The molecular formula of Hexazole is C10H17N3.
What is the molecular weight of Hexazole?
The molecular weight of Hexazole is 179.14 g/mol.
Where can I buy Hexazole?
You can request a quote for Hexazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexazole?
Yes, KEHONG BIO provides custom synthesis services for Hexazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.