Oxythiamine
TL;DR: Oxythiamine (CAS 136-16-3) is a chemical compound with molecular formula C12H16N3O2S+ and molecular weight 266.10 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
Also Known As: OXYTHIAMINE, Hydroxythiamine, Oxythiamin, hydroxythiamin, Oxythiamine chloride
| Molecular Formula | C12H16N3O2S+ |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0963 |
| Heavy Atoms | 18 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 136-16-3 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO |
| InChIKey | SRDGSXVLAVRBLU-UHFFFAOYSA-O |
Product Overview
Oxythiamine (CAS 136-16-3), with molecular formula C12H16N3O2S+ and molecular weight 266.10 g/mol. IUPAC: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one.
Chemical Property Profile of Oxythiamine
Property Insights of Oxythiamine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxythiamine. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxythiamine. Following Lipinski's Rule of Five, Oxythiamine has 2 hydrogen bond donor(s) and 4 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?
The CAS number of Oxythiamine is 136-16-3.
What is the molecular formula of Oxythiamine?
The molecular formula of Oxythiamine is C12H16N3O2S+.
What is the molecular weight of Oxythiamine?
The molecular weight of Oxythiamine is 266.10 g/mol.
Where can I buy Oxythiamine?
You can request a quote for Oxythiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.