戊唑醇
TL;DR: 戊唑醇 (CAS 107534-96-3) is a chemical compound with molecular formula C16H22ClN3O and molecular weight 307.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊唑醇
1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Also Known As: Tebuconazole, Fenetrazole, Ethyltrianol, Etiltrianol, Folicur
| Molecular Formula | C16H22ClN3O |
|---|---|
| Molecular Weight | 307.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.14514 |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
| Melting Point | 105 °C |
| Solubility | In water, 36 mg/L at pH 5-9, 20 °C |
| Vapor Pressure | 0.00000001 [mmHg] |
Chemical Identifiers
| CAS Number | 107534-96-3 |
|---|---|
| SMILES | CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O |
| InChIKey | PXMNMQRDXWABCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊唑醇 (CAS 107534-96-3), with molecular formula C16H22ClN3O and molecular weight 307.15 g/mol. IUPAC: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol.
Chemical Property Profile of 戊唑醇
Property Insights of 戊唑醇
The XLogP value of 3.7 indicates that 戊唑醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 戊唑醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊唑醇 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 戊唑醇?
The CAS number of 戊唑醇 is 107534-96-3.
What is the molecular formula of 戊唑醇?
The molecular formula of 戊唑醇 is C16H22ClN3O.
What is the molecular weight of 戊唑醇?
The molecular weight of 戊唑醇 is 307.15 g/mol.
Where can I buy 戊唑醇?
You can request a quote for 戊唑醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊唑醇?
Yes, KEHONG BIO provides custom synthesis services for 戊唑醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.