1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol
TL;DR: 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol (CAS 296880-71-2) is a chemical compound with molecular formula C18H16N6O2S2 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1,2-dihydroxy-2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol, TimTec1_004849, BAS 04831378, 1,2-bis(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol, 3-[1,2-dihydroxy-2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C18H16N6O2S2 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 2.94018 |
| Topological Polar Surface Area | 107.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0776 |
| Heavy Atoms | 28 |
| Complexity | 1100.3013 |
Chemical Identifiers
| CAS Number | 296880-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C(C(C3=NNC(=S)N3C4=CC=CC=C4)O)O |
Product Overview
1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol (CAS 296880-71-2), with molecular formula C18H16N6O2S2 and molecular weight 412.08 g/mol. IUPAC: 3-[1,2-dihydroxy-2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol
Property Insights of 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol
The XLogP value of 2.94018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol. The TPSA of 107.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol. Following Lipinski's Rule of Five, 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol has 4 hydrogen bond donor(s) and 6 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 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol?
The CAS number of 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol is 296880-71-2.
What is the molecular formula of 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol?
The molecular formula of 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol is C18H16N6O2S2.
What is the molecular weight of 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol?
The molecular weight of 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol is 412.08 g/mol.
Where can I buy 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol?
You can request a quote for 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,2-bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.