beta-Chaconine
TL;DR: beta-Chaconine (CAS 472-51-5) is a chemical compound with molecular formula C39H63NO10 and molecular weight 705.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(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]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: beta-Chaconine, beta(1)-Chaconine, beta1-Chaconine, beta-Chaconin, .BETA.-CHACONINE
| Molecular Formula | C39H63NO10 |
|---|---|
| Molecular Weight | 705.45 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 705.4452 |
| Heavy Atoms | 50 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 472-51-5 |
|---|---|
| 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)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C |
| InChIKey | ZLSYCIYRYZUJCZ-MTXMLOAPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Chaconine (CAS 472-51-5), with molecular formula C39H63NO10 and molecular weight 705.45 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(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]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of beta-Chaconine
Property Insights of beta-Chaconine
The XLogP value of 3.4 indicates that beta-Chaconine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting beta-Chaconine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Chaconine has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Chaconine?
The CAS number of beta-Chaconine is 472-51-5.
What is the molecular formula of beta-Chaconine?
The molecular formula of beta-Chaconine is C39H63NO10.
What is the molecular weight of beta-Chaconine?
The molecular weight of beta-Chaconine is 705.45 g/mol.
Where can I buy beta-Chaconine?
You can request a quote for beta-Chaconine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Chaconine?
Yes, KEHONG BIO provides custom synthesis services for beta-Chaconine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.