Monophosphothiamine
TL;DR: Monophosphothiamine (CAS 532-40-1) is a chemical compound with molecular formula C12H18ClN4O4PS and molecular weight 380.0475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate chloride
Also Known As: Monophosphothiamine, Monofosfotiamina, thiamine monophosphate, Phosphothiaminum, Thiamine monophosphate chloride
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18ClN4O4PS |
| Molecular Weight | 380.0475 g/mol |
| XLogP | -2.27 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.0475 Da |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.[Cl-] |
| InChIKey | GUGWNSHJDUEHNJ-UHFFFAOYSA-N |
Product Description
Applications: Monophosphothiamine is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Monophosphothiamine (CAS 532-40-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Monophosphothiamine is a pharmaceutical intermediate identified by CAS number 532-40-1 and the molecular formula C12H18ClN4O4PS and a molecular weight of 380.05 g/mol. It is also known as Monophosphothiamine and Monofosfotiamina.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Monophosphothiamine
Property Insights of Monophosphothiamine
The XLogP value of -2.27 indicates that Monophosphothiamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting Monophosphothiamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Monophosphothiamine has 3 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 Monophosphothiamine?
The CAS number of Monophosphothiamine is 532-40-1.
What is the molecular formula of Monophosphothiamine?
The molecular formula of Monophosphothiamine is C12H18ClN4O4PS.
What is the molecular weight of Monophosphothiamine?
The molecular weight of Monophosphothiamine is 380.0475 g/mol.
What are the applications of Monophosphothiamine?
Monophosphothiamine is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Monophosphothiamine (CAS 532-40-1) with custom synthesis...
Where can I buy Monophosphothiamine?
You can request a quote for Monophosphothiamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Monophosphothiamine?
Yes, CoreyChem provides custom synthesis services for Monophosphothiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.