甜菜根红素
TL;DR: 甜菜根红素 (CAS 7659-95-2) is a chemical compound with molecular formula C24H26N2O13 and molecular weight 550.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甜菜根红素
(2S)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
Also Known As: Betanin, Betanine, Betanin(RedBeetextractdilutedwithDextrin), (2S)-4-[2-[(2S)-2-Carboxy-5-(, Betanin, red beet extract diluted with Dextrin
| Molecular Formula | C24H26N2O13 |
|---|---|
| Molecular Weight | 550.14 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.1435 |
| Heavy Atoms | 39 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 7659-95-2 |
|---|---|
| SMILES | C1[C@H](N=C(C=C1C=CN2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | CTMLKIKAUFEMLE-FMOSSLLZSA-N |
Product Overview
甜菜根红素 (CAS 7659-95-2), with molecular formula C24H26N2O13 and molecular weight 550.14 g/mol. IUPAC: (2S)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid.
Chemical Property Profile of 甜菜根红素
Property Insights of 甜菜根红素
The XLogP value of -1.3 indicates that 甜菜根红素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting 甜菜根红素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 甜菜根红素 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 甜菜根红素?
The CAS number of 甜菜根红素 is 7659-95-2.
What is the molecular formula of 甜菜根红素?
The molecular formula of 甜菜根红素 is C24H26N2O13.
What is the molecular weight of 甜菜根红素?
The molecular weight of 甜菜根红素 is 550.14 g/mol.
Where can I buy 甜菜根红素?
You can request a quote for 甜菜根红素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甜菜根红素?
Yes, KEHONG BIO provides custom synthesis services for 甜菜根红素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.