(2S,4S)-ketoconazole
TL;DR: (2S,4S)-ketoconazole (CAS 142128-60-7) 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.
1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Also Known As: (2S,4S)-ketoconazole, ketoconazole, Ketoconazole, (2S,4S)-, 1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone, 1-acetyl-4-(4-{[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
| 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 | 142128-60-7 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| InChIKey | XMAYWYJOQHXEEK-JYFHCDHNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S,4S)-ketoconazole (CAS 142128-60-7), with molecular formula C26H28Cl2N4O4 and molecular weight 530.15 g/mol. IUPAC: 1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone.
Chemical Property Profile of (2S,4S)-ketoconazole
Property Insights of (2S,4S)-ketoconazole
The XLogP value of 4.3 indicates that (2S,4S)-ketoconazole 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 (2S,4S)-ketoconazole. Following Lipinski's Rule of Five, (2S,4S)-ketoconazole 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 (2S,4S)-ketoconazole?
The CAS number of (2S,4S)-ketoconazole is 142128-60-7.
What is the molecular formula of (2S,4S)-ketoconazole?
The molecular formula of (2S,4S)-ketoconazole is C26H28Cl2N4O4.
What is the molecular weight of (2S,4S)-ketoconazole?
The molecular weight of (2S,4S)-ketoconazole is 530.15 g/mol.
Where can I buy (2S,4S)-ketoconazole?
You can request a quote for (2S,4S)-ketoconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4S)-ketoconazole?
Yes, KEHONG BIO provides custom synthesis services for (2S,4S)-ketoconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.