酮康唑
TL;DR: 酮康唑 (CAS 79156-75-5) is a chemical compound with molecular formula C26H28Cl2N4O4 and molecular weight 530.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酮康唑
1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Also Known As: ketoconazole, Ketoconazol, Nizoral, Fungarest, Fungoral
| Molecular Formula | C26H28Cl2N4O4 |
|---|---|
| Molecular Weight | 530.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.14874 |
| Heavy Atoms | 36 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 79156-75-5 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| InChIKey | XMAYWYJOQHXEEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酮康唑 (CAS 79156-75-5), with molecular formula C26H28Cl2N4O4 and molecular weight 530.15 g/mol. IUPAC: 1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone.
Chemical Property Profile of 酮康唑
Property Insights of 酮康唑
The XLogP value of 4.3 indicates that 酮康唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 酮康唑. Following Lipinski's Rule of Five, 酮康唑 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 酮康唑?
The CAS number of 酮康唑 is 79156-75-5.
What is the molecular formula of 酮康唑?
The molecular formula of 酮康唑 is C26H28Cl2N4O4.
What is the molecular weight of 酮康唑?
The molecular weight of 酮康唑 is 530.15 g/mol.
Where can I buy 酮康唑?
You can request a quote for 酮康唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酮康唑?
Yes, KEHONG BIO provides custom synthesis services for 酮康唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.