![1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole structure](/static/products/1076/107659-86-9.webp)
1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
TL;DR: 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole (CAS 107659-86-9) is a chemical compound with molecular formula C18H14Cl2FN3O2 and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
Also Known As: 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole, 1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)-, (4S,5R)-5-(4-CHLOROPHENYL)-4-(2,4-DICHLOROPHENYL)-4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-2-ONE, 1-{[(4S,5R)-4-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole, 1-{[4-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole
| Molecular Formula | C18H14Cl2FN3O2 |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 4.3651 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0447 |
| Heavy Atoms | 26 |
| Complexity | 905.3095 |
Chemical Identifiers
| CAS Number | 107659-86-9 |
|---|---|
| SMILES | C1O[C@@H]([C@@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)F |
Product Overview
1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole (CAS 107659-86-9), with molecular formula C18H14Cl2FN3O2 and molecular weight 393.04 g/mol. IUPAC: 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
Property Insights of 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
The XLogP value of 4.3651 indicates that 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 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-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole?
The CAS number of 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole is 107659-86-9.
What is the molecular formula of 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole?
The molecular formula of 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole is C18H14Cl2FN3O2.
What is the molecular weight of 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole?
The molecular weight of 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole is 393.04 g/mol.
Where can I buy 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole?
You can request a quote for 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-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 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.