茄碱
TL;DR: 茄碱 (CAS 51938-42-2) is a chemical compound with molecular formula C45H73NO15 and molecular weight 867.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茄碱
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-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]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: alpha-Solanine, alpha-Solanin, A-Solanine, a-solanine, Solanin
| Molecular Formula | C45H73NO15 |
|---|---|
| Molecular Weight | 867.50 g/mol |
| LogP | 0.1552 |
| Topological Polar Surface Area | 240.69 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 867.49805 |
| Heavy Atoms | 61 |
| Complexity | 1589.3987 |
Chemical Identifiers
| CAS Number | 51938-42-2 |
|---|---|
| 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)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C |
Product Overview
茄碱 (CAS 51938-42-2), with molecular formula C45H73NO15 and molecular weight 867.50 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-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]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of 茄碱
Property Insights of 茄碱
The XLogP value of 0.1552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茄碱. The TPSA of 240.69 Ų indicates high polarity, suggesting 茄碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 茄碱 has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 茄碱?
The CAS number of 茄碱 is 51938-42-2.
What is the molecular formula of 茄碱?
The molecular formula of 茄碱 is C45H73NO15.
What is the molecular weight of 茄碱?
The molecular weight of 茄碱 is 867.50 g/mol.
Where can I buy 茄碱?
You can request a quote for 茄碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茄碱?
Yes, KEHONG BIO provides custom synthesis services for 茄碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.