![3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole structure](/static/products/6505/650592-49-7.webp)
3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole
TL;DR: 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole (CAS 650592-49-7) is a chemical compound with molecular formula C15H15Cl2N5O2S2 and molecular weight 431.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(benzenesulfonyl)ethylsulfanyl]-5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazole
Also Known As: 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole, 3-[2-(benzenesulfonyl)ethylsulfanyl]-5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazole, 3-[(4,5-dichloro-1h-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulfonyl)ethyl]thio}-4h-1,2,4-triazole, 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triaz, 3-{[2-(benzenesulfonyl)ethyl]sulfanyl}-5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazole
| Molecular Formula | C15H15Cl2N5O2S2 |
|---|---|
| Molecular Weight | 431.00 g/mol |
| LogP | 2.9327 |
| Topological Polar Surface Area | 82.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.00443 |
| Heavy Atoms | 26 |
| Complexity | 1002.47565 |
Chemical Identifiers
| CAS Number | 650592-49-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCCS(=O)(=O)C2=CC=CC=C2)CN3C=NC(=C3Cl)Cl |
Product Overview
3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole (CAS 650592-49-7), with molecular formula C15H15Cl2N5O2S2 and molecular weight 431.00 g/mol. IUPAC: 3-[2-(benzenesulfonyl)ethylsulfanyl]-5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole
Property Insights of 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole
The XLogP value of 2.9327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole. The TPSA of 82.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole has 0 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 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole?
The CAS number of 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole is 650592-49-7.
What is the molecular formula of 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole?
The molecular formula of 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole is C15H15Cl2N5O2S2.
What is the molecular weight of 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole?
The molecular weight of 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole is 431.00 g/mol.
Where can I buy 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole?
You can request a quote for 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-5-{[2-(phenylsulphonyl)ethyl]thio}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.