![5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/691/691385-05-4.png)
5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol (CAS 691385-05-4) is a chemical compound with molecular formula C17H24N4O2S and molecular weight 348.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-4-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol, 3-butyl-4-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-butyl-4-[(E)-(4-isopropoxy-3-methoxy-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[3-methoxy-4-(methylethoxy)phenyl]-1-azavinyl}-5-butyl-1,2,4-triazol e-3-thiol
| Molecular Formula | C17H24N4O2S |
|---|---|
| Molecular Weight | 348.16 g/mol |
| LogP | 3.96129 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.162 |
| Heavy Atoms | 24 |
| Complexity | 749.28906 |
Chemical Identifiers
| CAS Number | 691385-05-4 |
|---|---|
| SMILES | CCCCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OC(C)C)OC |
Product Overview
5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol (CAS 691385-05-4), with molecular formula C17H24N4O2S and molecular weight 348.16 g/mol. IUPAC: 3-butyl-4-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.96129 indicates that 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol has 1 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 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol is 691385-05-4.
What is the molecular formula of 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol is C17H24N4O2S.
What is the molecular weight of 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol is 348.16 g/mol.
Where can I buy 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-butyl-4-[(E)-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.