硫酸甜菜苷
TL;DR: 硫酸甜菜苷 (CAS 37717-82-1) is a chemical compound with molecular formula C18H16N2O12S and molecular weight 484.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸甜菜苷
(4E)-6-carboxy-4-[2-(2-carboxy-5,6-dihydroxyindol-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridin-1-ium-2-carboxylate;hydrogen sulfate
Also Known As: Betanidin sulfate, betanidine sulfate, 1H-Indolium, 2-carboxy-1-((2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene)-5,6-dihydroxy-, hydroxide, inner salt, sulfate (salt), 2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R*))-, sulfate (salt), (4E)-6-carboxy-4-[2-(2-carboxy-5,6-dihydroxyindol-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridin-1-ium-2-carboxylate; hydrogen sulfate
| Molecular Formula | C18H16N2O12S |
|---|---|
| Molecular Weight | 484.04 g/mol |
| LogP | -2.7632 |
| Topological Polar Surface Area | 252.24 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.0424 |
| Heavy Atoms | 33 |
| Complexity | 1249.2124 |
Chemical Identifiers
| CAS Number | 37717-82-1 |
|---|---|
| SMILES | C\1C([NH2+]C(=C/C1=C/C=[N+]2C3=CC(=C(C=C3C=C2C(=O)O)O)O)C(=O)O)C(=O)[O-].OS(=O)(=O)[O-] |
Product Overview
硫酸甜菜苷 (CAS 37717-82-1), with molecular formula C18H16N2O12S and molecular weight 484.04 g/mol. IUPAC: (4E)-6-carboxy-4-[2-(2-carboxy-5,6-dihydroxyindol-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridin-1-ium-2-carboxylate;hydrogen sulfate.
Chemical Property Profile of 硫酸甜菜苷
Property Insights of 硫酸甜菜苷
The XLogP value of -2.7632 indicates that 硫酸甜菜苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.24 Ų indicates high polarity, suggesting 硫酸甜菜苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸甜菜苷 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸甜菜苷?
The CAS number of 硫酸甜菜苷 is 37717-82-1.
What is the molecular formula of 硫酸甜菜苷?
The molecular formula of 硫酸甜菜苷 is C18H16N2O12S.
What is the molecular weight of 硫酸甜菜苷?
The molecular weight of 硫酸甜菜苷 is 484.04 g/mol.
Where can I buy 硫酸甜菜苷?
You can request a quote for 硫酸甜菜苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸甜菜苷?
Yes, KEHONG BIO provides custom synthesis services for 硫酸甜菜苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.