Commersonine
TL;DR: Commersonine (CAS 6640-93-3) is a chemical compound with molecular formula C51H85NO21 and molecular weight 1047.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7S,10S,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]tetracosan-7-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Commersonine, KST-1A7317, 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole, (3, A,5
| Molecular Formula | C51H85NO21 |
|---|---|
| Molecular Weight | 1047.56 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 340.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1047.5614 |
| Heavy Atoms | 73 |
| Complexity | 1860.0 |
Chemical Identifiers
| CAS Number | 6640-93-3 |
|---|---|
| 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[C@@H]6[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)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)C)C |
| InChIKey | JNFOOEMBPCLHEP-NLRYXJPGSA-N |
Product Overview
Commersonine (CAS 6640-93-3), with molecular formula C51H85NO21 and molecular weight 1047.56 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7S,10S,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]tetracosan-7-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Commersonine
Property Insights of Commersonine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Commersonine. The TPSA of 340.0 Ų indicates high polarity, suggesting Commersonine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Commersonine has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Commersonine?
The CAS number of Commersonine is 6640-93-3.
What is the molecular formula of Commersonine?
The molecular formula of Commersonine is C51H85NO21.
What is the molecular weight of Commersonine?
The molecular weight of Commersonine is 1047.56 g/mol.
Where can I buy Commersonine?
You can request a quote for Commersonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Commersonine?
Yes, KEHONG BIO provides custom synthesis services for Commersonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.