阿尼芬净
TL;DR: 阿尼芬净 (CAS 166663-25-8) is a chemical compound with molecular formula C58H73N7O17 and molecular weight 1139.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿尼芬净
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide
Also Known As: Anidulafungin, Eraxis, V-Echinocandin, Ecalta, Anidulafungina
| Molecular Formula | C58H73N7O17 |
|---|---|
| Molecular Weight | 1139.51 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 377.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 1139.5063 |
| Heavy Atoms | 82 |
| Complexity | 2150.0 |
| Solubility | Practically insoluble |
Chemical Identifiers
| CAS Number | 166663-25-8 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O |
| InChIKey | JHVAMHSQVVQIOT-MFAJLEFUSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿尼芬净 (CAS 166663-25-8), with molecular formula C58H73N7O17 and molecular weight 1139.51 g/mol. IUPAC: N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide.
Chemical Property Profile of 阿尼芬净
Property Insights of 阿尼芬净
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿尼芬净. The TPSA of 377.0 Ų indicates high polarity, suggesting 阿尼芬净 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿尼芬净 has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿尼芬净?
The CAS number of 阿尼芬净 is 166663-25-8.
What is the molecular formula of 阿尼芬净?
The molecular formula of 阿尼芬净 is C58H73N7O17.
What is the molecular weight of 阿尼芬净?
The molecular weight of 阿尼芬净 is 1139.51 g/mol.
Where can I buy 阿尼芬净?
You can request a quote for 阿尼芬净 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿尼芬净?
Yes, KEHONG BIO provides custom synthesis services for 阿尼芬净 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.