(Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate
TL;DR: (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate (CAS 462651-75-8) is a chemical compound with molecular formula C9H18N8O and molecular weight 254.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methylguanidine;hydrate
Also Known As: (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate, 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methylguanidine hydrate, 1-[4-(5-amino-2H-1,2,4-triazol-3-yl)butyl]-3-cyano-2-methyl-guanidine Hydrate
| Molecular Formula | C9H18N8O |
|---|---|
| Molecular Weight | 254.16 g/mol |
| LogP | -1.46902 |
| Topological Polar Surface Area | 159.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.16035 |
| Heavy Atoms | 18 |
| Complexity | 406.94528 |
Chemical Identifiers
| CAS Number | 462651-75-8 |
|---|---|
| SMILES | CN=C(NCCCCC1=NC(=NN1)N)NC#N.O |
Product Overview
(Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate (CAS 462651-75-8), with molecular formula C9H18N8O and molecular weight 254.16 g/mol. IUPAC: 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-cyano-2-methylguanidine;hydrate.
Chemical Property Profile of (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate
Property Insights of (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate
The XLogP value of -1.46902 indicates that (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.3 Ų indicates high polarity, suggesting (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate has 4 hydrogen bond donor(s) and 5 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 (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate?
The CAS number of (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate is 462651-75-8.
What is the molecular formula of (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate?
The molecular formula of (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate is C9H18N8O.
What is the molecular weight of (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate?
The molecular weight of (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate is 254.16 g/mol.
Where can I buy (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate?
You can request a quote for (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-2-cyano-3-methylguanidine hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.