Amaranthin betacyanin
TL;DR: Amaranthin betacyanin (CAS 15167-84-7) is a chemical compound with molecular formula C30H34N2O19 and molecular weight 726.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-2,3-dihydroindol-1-ium-2-carboxylate
Also Known As: Amaranthin betacyanin, 5-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-2,3-dihydroindol-1-ium-2-carboxylate
| Molecular Formula | C30H34N2O19 |
|---|---|
| Molecular Weight | 726.18 g/mol |
| LogP | -5.7818 |
| Topological Polar Surface Area | 345.6 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 726.1756 |
| Heavy Atoms | 51 |
| Complexity | 1659.2263 |
Chemical Identifiers
| CAS Number | 15167-84-7 |
|---|---|
| SMILES | C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O |
Product Overview
Amaranthin betacyanin (CAS 15167-84-7), with molecular formula C30H34N2O19 and molecular weight 726.18 g/mol. IUPAC: 5-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-2,3-dihydroindol-1-ium-2-carboxylate.
Chemical Property Profile of Amaranthin betacyanin
Property Insights of Amaranthin betacyanin
The XLogP value of -5.7818 indicates that Amaranthin betacyanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 345.6 Ų indicates high polarity, suggesting Amaranthin betacyanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amaranthin betacyanin has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amaranthin betacyanin?
The CAS number of Amaranthin betacyanin is 15167-84-7.
What is the molecular formula of Amaranthin betacyanin?
The molecular formula of Amaranthin betacyanin is C30H34N2O19.
What is the molecular weight of Amaranthin betacyanin?
The molecular weight of Amaranthin betacyanin is 726.18 g/mol.
Where can I buy Amaranthin betacyanin?
You can request a quote for Amaranthin betacyanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amaranthin betacyanin?
Yes, KEHONG BIO provides custom synthesis services for Amaranthin betacyanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.