KST-1A3121
TL;DR: KST-1A3121 (CAS 24973-59-9) is a chemical compound with molecular formula C20H26N2O12 and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-yl]oxy-2-hydroxyacetate;2-hydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-1-ium-3-yl]methoxy]acetate
Also Known As: KST-1A3121, [[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methoxy]glycolic acid compound with[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl]oxy]glycolic acid(1:1), 2-[4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-yl]oxy-2-hydroxyacetate; 2-hydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-1-ium-3-yl]methoxy]acetate
| Molecular Formula | C20H26N2O12 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | -5.17 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.14856 |
| Heavy Atoms | 34 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 24973-59-9 |
|---|---|
| SMILES | CC1=[NH+]C=C(C(=C1O)CO)COC(C(=O)[O-])O.CC1=[NH+]C=C(C(=C1OC(C(=O)[O-])O)CO)CO |
| InChIKey | TWVSQBMULZSRIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1A3121 (CAS 24973-59-9), with molecular formula C20H26N2O12 and molecular weight 486.15 g/mol. IUPAC: 2-[4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-yl]oxy-2-hydroxyacetate;2-hydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-1-ium-3-yl]methoxy]acetate.
Chemical Property Profile of KST-1A3121
Property Insights of KST-1A3121
The XLogP value of -5.17 indicates that KST-1A3121 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting KST-1A3121 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A3121 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A3121?
The CAS number of KST-1A3121 is 24973-59-9.
What is the molecular formula of KST-1A3121?
The molecular formula of KST-1A3121 is C20H26N2O12.
What is the molecular weight of KST-1A3121?
The molecular weight of KST-1A3121 is 486.15 g/mol.
Where can I buy KST-1A3121?
You can request a quote for KST-1A3121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3121?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.