![1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol structure](/static/products/662/6629-57-8.png)
1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol
TL;DR: 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol (CAS 6629-57-8) is a chemical compound with molecular formula C23H22N4OS and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol, 1-({[3-(4-tert-butylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)naphthalen-2-ol
| Molecular Formula | C23H22N4OS |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 5.64619 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.15143 |
| Heavy Atoms | 29 |
| Complexity | 1260.7678 |
Chemical Identifiers
| CAS Number | 6629-57-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CC4=CC=CC=C43)O |
Product Overview
1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol (CAS 6629-57-8), with molecular formula C23H22N4OS and molecular weight 402.15 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol
Property Insights of 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol
The XLogP value of 5.64619 indicates that 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol. Following Lipinski's Rule of Five, 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol?
The CAS number of 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol is 6629-57-8.
What is the molecular formula of 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol?
The molecular formula of 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol is C23H22N4OS.
What is the molecular weight of 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol?
The molecular weight of 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol is 402.15 g/mol.
Where can I buy 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol?
You can request a quote for 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-((1E)-2-{5-[4-(tert-butyl)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavinyl )naphthalen-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.