![4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol structure](/static/products/691/691385-13-4.png)
4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol (CAS 691385-13-4) is a chemical compound with molecular formula C18H26N4O2S and molecular weight 362.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(3-methoxy-4-pentyloxyphenyl)-1-azavinyl]-5-propyl-1,2,4-triazole-3- thiol, 4-[(E)-(3-methoxy-4-pentoxy-phenyl)methyleneamino]-3-propyl-1H-1,2,4-triazole-5-thione, C18H26N4O2S
| Molecular Formula | C18H26N4O2S |
|---|---|
| Molecular Weight | 362.18 g/mol |
| LogP | 4.35299 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 362.17764 |
| Heavy Atoms | 25 |
| Complexity | 751.7746 |
Chemical Identifiers
| CAS Number | 691385-13-4 |
|---|---|
| SMILES | CCCCCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)CCC)OC |
Product Overview
4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol (CAS 691385-13-4), with molecular formula C18H26N4O2S and molecular weight 362.18 g/mol. IUPAC: 4-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.35299 indicates that 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-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 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-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 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol is 691385-13-4.
What is the molecular formula of 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol is C18H26N4O2S.
What is the molecular weight of 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol is 362.18 g/mol.
Where can I buy 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-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 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}amino]-5-propyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.