氟环唑
TL;DR: 氟环唑 (CAS 133855-98-8) is a chemical compound with molecular formula C17H13ClFN3O and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟环唑
1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Also Known As: Epoxiconazole, Epoxiconazol, epoxyconazole, Opal, OPUS
| Molecular Formula | C17H13ClFN3O |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.07312 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
| Vapor Pressure | 0.00000045 [mmHg] |
Chemical Identifiers
| CAS Number | 133855-98-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl |
| InChIKey | ZMYFCFLJBGAQRS-IAGOWNOFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟环唑 (CAS 133855-98-8), with molecular formula C17H13ClFN3O and molecular weight 329.07 g/mol. IUPAC: 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of 氟环唑
Property Insights of 氟环唑
The XLogP value of 3.2 indicates that 氟环唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.2 Ų, 氟环唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟环唑 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 氟环唑?
The CAS number of 氟环唑 is 133855-98-8.
What is the molecular formula of 氟环唑?
The molecular formula of 氟环唑 is C17H13ClFN3O.
What is the molecular weight of 氟环唑?
The molecular weight of 氟环唑 is 329.07 g/mol.
Where can I buy 氟环唑?
You can request a quote for 氟环唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟环唑?
Yes, KEHONG BIO provides custom synthesis services for 氟环唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.