Hydroxythiamine
TL;DR: Hydroxythiamine (CAS 582-36-5) is a chemical compound with molecular formula C12H16ClN3O2S and molecular weight 301.0652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
Also Known As: Hydroxythiamine, Oxythiamine chloride, OXYTHIAMINE, Oxythiamin, 4-Hydroxythiamine
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16ClN3O2S |
| Molecular Weight | 301.0652 g/mol |
| XLogP | -2.68 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0652 Da |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-] |
| InChIKey | RNUAEUWXRHCGKX-UHFFFAOYSA-N |
Product Description
Applications: Hydroxythiamine 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 Hydroxythiamine (CAS 582-36-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Hydroxythiamine (CAS 582-36-5) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.07 g/mol. It is also known as Hydroxythiamine and Oxythiamine chloride.
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 Hydroxythiamine
Property Insights of Hydroxythiamine
The XLogP value of -2.68 indicates that Hydroxythiamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxythiamine. Following Lipinski's Rule of Five, Hydroxythiamine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hydroxythiamine?
The CAS number of Hydroxythiamine is 582-36-5.
What is the molecular formula of Hydroxythiamine?
The molecular formula of Hydroxythiamine is C12H16ClN3O2S.
What is the molecular weight of Hydroxythiamine?
The molecular weight of Hydroxythiamine is 301.0652 g/mol.
What are the applications of Hydroxythiamine?
Hydroxythiamine 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 Hydroxythiamine (CAS 582-36-5) with custom synthesis available...
Where can I buy Hydroxythiamine?
You can request a quote for Hydroxythiamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydroxythiamine?
Yes, CoreyChem provides custom synthesis services for Hydroxythiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.