Doconazole
TL;DR: Doconazole (CAS 59831-63-9) is a chemical compound with molecular formula C26H22Cl2N2O3 and molecular weight 480.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(2,4-dichlorophenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
Also Known As: Doconazole, Doconazol, R-34000, R 34,000, Doconazolum;Doconazol;R-34000;R 34000;R34000
| Molecular Formula | C26H22Cl2N2O3 |
|---|---|
| Molecular Weight | 480.10 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.10074 |
| Heavy Atoms | 33 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 59831-63-9 |
|---|---|
| SMILES | C1C(OC(O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)COC4=CC=C(C=C4)C5=CC=CC=C5 |
| InChIKey | GNZHVEIGGFMLSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Doconazole (CAS 59831-63-9), with molecular formula C26H22Cl2N2O3 and molecular weight 480.10 g/mol. IUPAC: 1-[[2-(2,4-dichlorophenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole.
Chemical Property Profile of Doconazole
Property Insights of Doconazole
The XLogP value of 6.6 indicates that Doconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, Doconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Doconazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Doconazole?
The CAS number of Doconazole is 59831-63-9.
What is the molecular formula of Doconazole?
The molecular formula of Doconazole is C26H22Cl2N2O3.
What is the molecular weight of Doconazole?
The molecular weight of Doconazole is 480.10 g/mol.
Where can I buy Doconazole?
You can request a quote for Doconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doconazole?
Yes, KEHONG BIO provides custom synthesis services for Doconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.