1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-
TL;DR: 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- (CAS 107741-32-2) is a chemical compound with molecular formula C17H12Cl2FN3O3S and molecular weight 427.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3,2-dioxathiolane 2-oxide
Also Known As: 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-, (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3,2-dioxathiolane 2-oxide, (4S,5R)-4-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3,2lambda~4~-dioxathiolan-2-one, 1H-1,2,4-Triazole, 1-[[rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl]methyl]-, 4-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3,2lambda~4~-dioxathiolan-2-one
| Molecular Formula | C17H12Cl2FN3O3S |
|---|---|
| Molecular Weight | 427.00 g/mol |
| LogP | 3.9863 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.99603 |
| Heavy Atoms | 27 |
| Complexity | 987.5985 |
Chemical Identifiers
| CAS Number | 107741-32-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H]2[C@@](OS(=O)O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl)F |
Product Overview
1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- (CAS 107741-32-2), with molecular formula C17H12Cl2FN3O3S and molecular weight 427.00 g/mol. IUPAC: (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3,2-dioxathiolane 2-oxide.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-
Property Insights of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-
The XLogP value of 3.9863 indicates that 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- has 0 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 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- is 107741-32-2.
What is the molecular formula of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- is C17H12Cl2FN3O3S.
What is the molecular weight of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- is 427.00 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.