Carbaton
TL;DR: Carbaton (CAS 103171-42-2) is a chemical compound with molecular formula C13H13NNa2O8 and molecular weight 357.04364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2-[5-(carboxylatomethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]oxyacetate
Also Known As: Carbaton, disodium;2-[5-(carboxylatomethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]oxyacetate, Disodium 2,2'-[(2,6-dimethyl-1,4-dihydropyridine-3,5-diyl)bis(carbonyloxy)]diacetate, disodium 2-[2,6-dimethyl-5-(2-oxido-2-oxoethoxy)carbonyl-1,4-dihydropyridine-3-carbonyl]oxyacetate, disodium,2-[5-(carboxylatomethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]oxyacetate
Technical Specifications
| Molecular Formula | C13H13NNa2O8 |
| Molecular Weight | 357.04364 g/mol |
| XLogP | -8.8781 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.04364 Da |
| Heavy Atoms | 24 |
| Complexity | 526.0 |
| SMILES | CC1=C(CC(=C(N1)C)C(=O)OCC(=O)[O-])C(=O)OCC(=O)[O-].[Na+].[Na+] |
| InChIKey | BGIRBEKPXNDRDM-UHFFFAOYSA-L |
Chemical Property Profile of Carbaton
Property Insights of Carbaton
The XLogP value of -8.8781 indicates that Carbaton is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting Carbaton may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbaton has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbaton?
The CAS number of Carbaton is 103171-42-2.
What is the molecular formula of Carbaton?
The molecular formula of Carbaton is C13H13NNa2O8.
What is the molecular weight of Carbaton?
The molecular weight of Carbaton is 357.04364 g/mol.
Where can I buy Carbaton?
You can request a quote for Carbaton directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbaton?
Yes, CoreyChem provides custom synthesis services for Carbaton and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.