Oxythiamine chloride hydrochloride
TL;DR: Oxythiamine chloride hydrochloride (CAS 614-05-1) is a chemical compound with molecular formula C12H17Cl2N3O2S and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride;hydrochloride
Also Known As: Oxythiamine chloride hydrochloride, hydroxythiamin, Oxythiamine, HCl, Oxythiamine HCl, Hydroxythiamine
| Molecular Formula | C12H17Cl2N3O2S |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | -2.26 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.04184 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 614-05-1 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.Cl.[Cl-] |
| InChIKey | HGYQKVVWNZFPJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxythiamine chloride hydrochloride (CAS 614-05-1), with molecular formula C12H17Cl2N3O2S and molecular weight 337.04 g/mol. IUPAC: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride;hydrochloride.
Chemical Property Profile of Oxythiamine chloride hydrochloride
Property Insights of Oxythiamine chloride hydrochloride
The XLogP value of -2.26 indicates that Oxythiamine chloride hydrochloride 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 Oxythiamine chloride hydrochloride. Following Lipinski's Rule of Five, Oxythiamine chloride hydrochloride has 3 hydrogen bond donor(s) and 5 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 Oxythiamine chloride hydrochloride?
The CAS number of Oxythiamine chloride hydrochloride is 614-05-1.
What is the molecular formula of Oxythiamine chloride hydrochloride?
The molecular formula of Oxythiamine chloride hydrochloride is C12H17Cl2N3O2S.
What is the molecular weight of Oxythiamine chloride hydrochloride?
The molecular weight of Oxythiamine chloride hydrochloride is 337.04 g/mol.
Where can I buy Oxythiamine chloride hydrochloride?
You can request a quote for Oxythiamine chloride hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine chloride hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine chloride hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.