(2R,4S)-Propiconazole
TL;DR: (2R,4S)-Propiconazole (CAS 112721-87-6) is a chemical compound with molecular formula C15H17Cl2N3O2 and molecular weight 341.0698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: cis-propiconazole, (2R,4S)-Propiconazole, PROPICONAZOLE, 1-{[(2R,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole, 1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H17Cl2N3O2 |
| Molecular Weight | 341.0698 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 49.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.0698 Da |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
| SMILES | CCC[C@H]1CO[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | STJLVHWMYQXCPB-WFASDCNBSA-N |
Chemical Property Profile of (2R,4S)-Propiconazole
Property Insights of (2R,4S)-Propiconazole
The XLogP value of 3.5 indicates that (2R,4S)-Propiconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.2 Ų, (2R,4S)-Propiconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,4S)-Propiconazole 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
What is the CAS number of (2R,4S)-Propiconazole?
The CAS number of (2R,4S)-Propiconazole is 112721-87-6.
What is the molecular formula of (2R,4S)-Propiconazole?
The molecular formula of (2R,4S)-Propiconazole is C15H17Cl2N3O2.
What is the molecular weight of (2R,4S)-Propiconazole?
The molecular weight of (2R,4S)-Propiconazole is 341.0698 g/mol.
Where can I buy (2R,4S)-Propiconazole?
You can request a quote for (2R,4S)-Propiconazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2R,4S)-Propiconazole?
Yes, CoreyChem provides custom synthesis services for (2R,4S)-Propiconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.