己唑醇
TL;DR: 己唑醇 (CAS 79983-71-4) is a chemical compound with molecular formula C14H17Cl2N3O and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己唑醇
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
Also Known As: Hexaconazole, Anvil, Contaf, Sitara, Chlortriafol
| Molecular Formula | C14H17Cl2N3O |
|---|---|
| Molecular Weight | 313.07 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 | 313.07486 |
| Heavy Atoms | 20 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 79983-71-4 |
|---|---|
| SMILES | CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O |
| InChIKey | STMIIPIFODONDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己唑醇 (CAS 79983-71-4), with molecular formula C14H17Cl2N3O and molecular weight 313.07 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol.
Chemical Property Profile of 己唑醇
Property Insights of 己唑醇
The XLogP value of 3.7 indicates that 己唑醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 己唑醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己唑醇 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 己唑醇?
The CAS number of 己唑醇 is 79983-71-4.
What is the molecular formula of 己唑醇?
The molecular formula of 己唑醇 is C14H17Cl2N3O.
What is the molecular weight of 己唑醇?
The molecular weight of 己唑醇 is 313.07 g/mol.
Where can I buy 己唑醇?
You can request a quote for 己唑醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己唑醇?
Yes, KEHONG BIO provides custom synthesis services for 己唑醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.