Methylglucamine orotate
TL;DR: Methylglucamine orotate (CAS 59404-17-0) is a chemical compound with molecular formula C12H21N3O9 and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: Methylglucamine orotate, Methylglucaminorotate, methylglucamineorotate, 1-Deoxy-1-(methylamino)-D-glucitol 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (salt), 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
| Molecular Formula | C12H21N3O9 |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | -4.5969 |
| Topological Polar Surface Area | 216.2 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.12778 |
| Heavy Atoms | 24 |
| Complexity | 586.0315 |
Chemical Identifiers
| CAS Number | 59404-17-0 |
|---|---|
| SMILES | CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=C(NC(=O)NC1=O)C(=O)O |
Product Overview
Methylglucamine orotate (CAS 59404-17-0), with molecular formula C12H21N3O9 and molecular weight 351.13 g/mol. IUPAC: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of Methylglucamine orotate
Property Insights of Methylglucamine orotate
The XLogP value of -4.5969 indicates that Methylglucamine orotate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.2 Ų indicates high polarity, suggesting Methylglucamine orotate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylglucamine orotate has 9 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 Methylglucamine orotate?
The CAS number of Methylglucamine orotate is 59404-17-0.
What is the molecular formula of Methylglucamine orotate?
The molecular formula of Methylglucamine orotate is C12H21N3O9.
What is the molecular weight of Methylglucamine orotate?
The molecular weight of Methylglucamine orotate is 351.13 g/mol.
Where can I buy Methylglucamine orotate?
You can request a quote for Methylglucamine orotate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylglucamine orotate?
Yes, KEHONG BIO provides custom synthesis services for Methylglucamine orotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.