叶锈特
TL;DR: 叶锈特 (CAS 16227-10-4) is a chemical compound with molecular formula C6H11N3 and molecular weight 125.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叶锈特
4-butyl-1,2,4-triazole
Also Known As: Triazbutil, 4-Butyl-4H-1,2,4-triazole, Butrizol, Indar, triazbutyl
| Molecular Formula | C6H11N3 |
|---|---|
| Molecular Weight | 125.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.0953 |
| Heavy Atoms | 9 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 16227-10-4 |
|---|---|
| SMILES | CCCCN1C=NN=C1 |
| InChIKey | ZOMKCDYJHAQMCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叶锈特 (CAS 16227-10-4), with molecular formula C6H11N3 and molecular weight 125.10 g/mol. IUPAC: 4-butyl-1,2,4-triazole.
Chemical Property Profile of 叶锈特
Property Insights of 叶锈特
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叶锈特. With a topological polar surface area (TPSA) of 30.7 Ų, 叶锈特 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叶锈特 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 叶锈特?
The CAS number of 叶锈特 is 16227-10-4.
What is the molecular formula of 叶锈特?
The molecular formula of 叶锈特 is C6H11N3.
What is the molecular weight of 叶锈特?
The molecular weight of 叶锈特 is 125.10 g/mol.
Where can I buy 叶锈特?
You can request a quote for 叶锈特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叶锈特?
Yes, KEHONG BIO provides custom synthesis services for 叶锈特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.