Valconazole
TL;DR: Valconazole (CAS 56097-80-4) is a chemical compound with molecular formula C16H18Cl2N2O2 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-3-one
Also Known As: Valconazole, Valconazolum, Valconazol, Bayer f 8751, Valconazole [INN:BAN]
| Molecular Formula | C16H18Cl2N2O2 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 4.2527 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.07452 |
| Heavy Atoms | 22 |
| Complexity | 648.6606 |
Chemical Identifiers
| CAS Number | 56097-80-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(CN1C=CN=C1)OC2=C(C=C(C=C2)Cl)Cl |
Product Overview
Valconazole (CAS 56097-80-4), with molecular formula C16H18Cl2N2O2 and molecular weight 340.07 g/mol. IUPAC: 2-(2,4-dichlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-3-one.
Chemical Property Profile of Valconazole
Property Insights of Valconazole
The XLogP value of 4.2527 indicates that Valconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, Valconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valconazole has 0 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 Valconazole?
The CAS number of Valconazole is 56097-80-4.
What is the molecular formula of Valconazole?
The molecular formula of Valconazole is C16H18Cl2N2O2.
What is the molecular weight of Valconazole?
The molecular weight of Valconazole is 340.07 g/mol.
Where can I buy Valconazole?
You can request a quote for Valconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valconazole?
Yes, KEHONG BIO provides custom synthesis services for Valconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.