Hydroxyethylthiamine
TL;DR: Hydroxyethylthiamine (CAS 5457-90-9) is a chemical compound with molecular formula C14H21ClN4O2S and molecular weight 344.11 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]-2-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride
Also Known As: Hydroxyethylthiamine, N-(5-Hydroxy-4,4-diphenylheptan-2-yl)acetamide, 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-2,5-bis(2-hydroxyethyl)-4-methylthiazolium chloride, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2,5-bis(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride, 2,5-Bis(2-hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride
| Molecular Formula | C14H21ClN4O2S |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | -2.85346 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.10736 |
| Heavy Atoms | 22 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 5457-90-9 |
|---|---|
| SMILES | CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)CCO)CCO.[Cl-] |
| InChIKey | BECBAQIAXDDXIE-UHFFFAOYSA-M |
Product Overview
Hydroxyethylthiamine (CAS 5457-90-9), with molecular formula C14H21ClN4O2S and molecular weight 344.11 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride.
Chemical Property Profile of Hydroxyethylthiamine
Property Insights of Hydroxyethylthiamine
The XLogP value of -2.85346 indicates that Hydroxyethylthiamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxyethylthiamine. Following Lipinski's Rule of Five, Hydroxyethylthiamine has 3 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 Hydroxyethylthiamine?
The CAS number of Hydroxyethylthiamine is 5457-90-9.
What is the molecular formula of Hydroxyethylthiamine?
The molecular formula of Hydroxyethylthiamine is C14H21ClN4O2S.
What is the molecular weight of Hydroxyethylthiamine?
The molecular weight of Hydroxyethylthiamine is 344.11 g/mol.
Where can I buy Hydroxyethylthiamine?
You can request a quote for Hydroxyethylthiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyethylthiamine?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyethylthiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.