1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-
TL;DR: 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- (CAS 107741-40-2) is a chemical compound with molecular formula C14H16ClN3O3S and molecular weight 341.0601 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,5R)-4-(4-chlorophenyl)-5-propan-2-yl-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-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-, (4S,5R)-4-(4-Chlorophenyl)-5-(propan-2-yl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3,2lambda~4~-dioxathiolan-2-one, (4S,5R)-4-(4-chlorophenyl)-5-isopropyl-4-(1,2,4-triazol-1-ylmethyl)-1,3,2-dioxathiolane 2-oxide, (4S,5R)-4-(4-chlorophenyl)-5-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)-1,3,2-dioxathiolane 2-oxide, 1H-1,2,4-Triazole, 1-[[rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl]methyl]-
Technical Specifications
| Molecular Formula | C14H16ClN3O3S |
| Molecular Weight | 341.0601 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 85.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0601 Da |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
| SMILES | CC(C)[C@@H]1[C@@](OS(=O)O1)(CN2C=NC=N2)C3=CC=C(C=C3)Cl |
| InChIKey | NPFKMHWOXVEEPD-PMBFKINQSA-N |
Chemical Property Profile of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-
Property Insights of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-
The XLogP value of 3.1 indicates that 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-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 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-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-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- 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
What is the CAS number of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- is 107741-40-2.
What is the molecular formula of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- is C14H16ClN3O3S.
What is the molecular weight of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- is 341.0601 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-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-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole, 1-((rel-(4S,5R)-4-(4-chlorophenyl)-5-(1-methylethyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.