thiamine phosphate ester dihydrogen phosphate salt
TL;DR: thiamine phosphate ester dihydrogen phosphate salt (CAS 6350-66-9) is a chemical compound with molecular formula C12H20N4O8P2S and molecular weight 442.05 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]ethyl dihydrogen phosphate;dihydrogen phosphate
Also Known As: UMBEON, Thiamine phosphate ester dihydrogen phosphate salt, EINECS 211-246-5, Thiamine phosphoric acid ester phosphate, MONOPHOSPHOTHIAMINE PHOSPHATE
| Molecular Formula | C12H20N4O8P2S |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | -0.83586 |
| Topological Polar Surface Area | 203.03 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0477 |
| Heavy Atoms | 27 |
| Complexity | 856.8161 |
Chemical Identifiers
| CAS Number | 6350-66-9 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.OP(=O)(O)[O-] |
Product Overview
thiamine phosphate ester dihydrogen phosphate salt (CAS 6350-66-9), with molecular formula C12H20N4O8P2S and molecular weight 442.05 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;dihydrogen phosphate.
Chemical Property Profile of thiamine phosphate ester dihydrogen phosphate salt
Property Insights of thiamine phosphate ester dihydrogen phosphate salt
The XLogP value of -0.83586 indicates that thiamine phosphate ester dihydrogen phosphate salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.03 Ų indicates high polarity, suggesting thiamine phosphate ester dihydrogen phosphate salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, thiamine phosphate ester dihydrogen phosphate salt has 5 hydrogen bond donor(s) and 8 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 phosphate ester dihydrogen phosphate salt?
The CAS number of thiamine phosphate ester dihydrogen phosphate salt is 6350-66-9.
What is the molecular formula of thiamine phosphate ester dihydrogen phosphate salt?
The molecular formula of thiamine phosphate ester dihydrogen phosphate salt is C12H20N4O8P2S.
What is the molecular weight of thiamine phosphate ester dihydrogen phosphate salt?
The molecular weight of thiamine phosphate ester dihydrogen phosphate salt is 442.05 g/mol.
Where can I buy thiamine phosphate ester dihydrogen phosphate salt?
You can request a quote for thiamine phosphate ester dihydrogen phosphate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thiamine phosphate ester dihydrogen phosphate salt?
Yes, KEHONG BIO provides custom synthesis services for thiamine phosphate ester dihydrogen phosphate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.