环唑醇
TL;DR: 环唑醇 (CAS 94361-06-5) is a chemical compound with molecular formula C15H18ClN3O and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环唑醇
2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: Cyproconazole, Cyproconazol, Atemi, Alto, Atemi C
| Molecular Formula | C15H18ClN3O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.11383 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
| Melting Point | 106.2-106.9 °C |
| Boiling Point | >250 °C |
| Density | 1.25 g/cu cm |
| Solubility | Readily soluble in acetone, ethanol, xylene, and dimethyl sulfoxide |
| Vapor Pressure | 2.59X10-7 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 94361-06-5 |
|---|---|
| SMILES | CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O |
| InChIKey | UFNOUKDBUJZYDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环唑醇 (CAS 94361-06-5), with molecular formula C15H18ClN3O and molecular weight 291.11 g/mol. IUPAC: 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of 环唑醇
Property Insights of 环唑醇
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环唑醇. With a topological polar surface area (TPSA) of 50.9 Ų, 环唑醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环唑醇 has 1 hydrogen bond donor(s) and 3 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 环唑醇?
The CAS number of 环唑醇 is 94361-06-5.
What is the molecular formula of 环唑醇?
The molecular formula of 环唑醇 is C15H18ClN3O.
What is the molecular weight of 环唑醇?
The molecular weight of 环唑醇 is 291.11 g/mol.
Where can I buy 环唑醇?
You can request a quote for 环唑醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环唑醇?
Yes, KEHONG BIO provides custom synthesis services for 环唑醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.