查科茄碱
TL;DR: 查科茄碱 (CAS 20562-03-2) is a chemical compound with molecular formula C45H73NO14 and molecular weight 851.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
查科茄碱
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: alpha-Chaconine, Chaconine, a-Chaconine, Conine, A-Chaconine
| Molecular Formula | C45H73NO14 |
|---|---|
| Molecular Weight | 851.50 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 851.5031 |
| Heavy Atoms | 60 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 20562-03-2 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C |
| InChIKey | TYNQWWGVEGFKRU-AJDPQWBVSA-N |
Product Overview
查科茄碱 (CAS 20562-03-2), with molecular formula C45H73NO14 and molecular weight 851.50 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of 查科茄碱
Property Insights of 查科茄碱
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 查科茄碱. The TPSA of 220.0 Ų indicates high polarity, suggesting 查科茄碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 查科茄碱 has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 查科茄碱?
The CAS number of 查科茄碱 is 20562-03-2.
What is the molecular formula of 查科茄碱?
The molecular formula of 查科茄碱 is C45H73NO14.
What is the molecular weight of 查科茄碱?
The molecular weight of 查科茄碱 is 851.50 g/mol.
Where can I buy 查科茄碱?
You can request a quote for 查科茄碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 查科茄碱?
Yes, KEHONG BIO provides custom synthesis services for 查科茄碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.