beta2-Chaconine
TL;DR: beta2-Chaconine (CAS 5437-90-1) 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,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,10R,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: beta2-Chaconine, A-Chaconine, beta(sub 2)-Chaconine, KST-1A5751, KST-1A5752
| Molecular Formula | C39H63NO10 |
|---|---|
| Molecular Weight | 705.45 g/mol |
| LogP | 2.8 |
| 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 | 5437-90-1 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CCC5[C@H]4CC=C6[C@@]5(CCC(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)C)C |
| InChIKey | IBVPROGUDFDQRN-PZFYPTLZSA-N |
Product Overview
beta2-Chaconine (CAS 5437-90-1), with molecular formula C39H63NO10 and molecular weight 705.45 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,10R,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 beta2-Chaconine
Property Insights of beta2-Chaconine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta2-Chaconine. The TPSA of 162.0 Ų indicates high polarity, suggesting beta2-Chaconine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta2-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 beta2-Chaconine?
The CAS number of beta2-Chaconine is 5437-90-1.
What is the molecular formula of beta2-Chaconine?
The molecular formula of beta2-Chaconine is C39H63NO10.
What is the molecular weight of beta2-Chaconine?
The molecular weight of beta2-Chaconine is 705.45 g/mol.
Where can I buy beta2-Chaconine?
You can request a quote for beta2-Chaconine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta2-Chaconine?
Yes, KEHONG BIO provides custom synthesis services for beta2-Chaconine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.