Thiamine monophosphate salt
TL;DR: Thiamine monophosphate salt (CAS 582-38-7) is a chemical compound with molecular formula C12H19N4O5PS and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;dihydrogen phosphate
Also Known As: Thiamine monophosphate salt, EINECS 209-485-5, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, phosphate (1:1), 3-((4-Ammonio-2-methyl-5-pyrimidinio)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium phosphate, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, phosphate (1:1) (salt)
| Molecular Formula | C12H19N4O5PS |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | -0.95286 |
| Topological Polar Surface Area | 156.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.0814 |
| Heavy Atoms | 23 |
| Complexity | 694.49 |
Chemical Identifiers
| CAS Number | 582-38-7 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.OP(=O)(O)[O-] |
Product Overview
Thiamine monophosphate salt (CAS 582-38-7), with molecular formula C12H19N4O5PS and molecular weight 362.08 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;dihydrogen phosphate.
Chemical Property Profile of Thiamine monophosphate salt
Property Insights of Thiamine monophosphate salt
The XLogP value of -0.95286 indicates that Thiamine monophosphate salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.5 Ų indicates high polarity, suggesting Thiamine monophosphate salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine monophosphate salt has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiamine monophosphate salt?
The CAS number of Thiamine monophosphate salt is 582-38-7.
What is the molecular formula of Thiamine monophosphate salt?
The molecular formula of Thiamine monophosphate salt is C12H19N4O5PS.
What is the molecular weight of Thiamine monophosphate salt?
The molecular weight of Thiamine monophosphate salt is 362.08 g/mol.
Where can I buy Thiamine monophosphate salt?
You can request a quote for Thiamine monophosphate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine monophosphate salt?
Yes, KEHONG BIO provides custom synthesis services for Thiamine monophosphate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.