Oxythiamine bromide monohydrobromide
TL;DR: Oxythiamine bromide monohydrobromide (CAS 108051-45-2) is a chemical compound with molecular formula C12H17Br2N3O2S and molecular weight 424.94 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;bromide;hydrobromide
Also Known As: Oxythiamine bromide monohydrobromide, Hydroxythiamine bromide monohydrobromide, Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, bromide, monohydrobromide, 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one bromide hydrobromide, RefChem:367506
| Molecular Formula | C12H17Br2N3O2S |
|---|---|
| Molecular Weight | 424.94 g/mol |
| LogP | -2.09926 |
| Topological Polar Surface Area | 69.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.94083 |
| Heavy Atoms | 20 |
| Complexity | 612.9902 |
Chemical Identifiers
| CAS Number | 108051-45-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.Br.[Br-] |
Product Overview
Oxythiamine bromide monohydrobromide (CAS 108051-45-2), with molecular formula C12H17Br2N3O2S and molecular weight 424.94 g/mol. IUPAC: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;bromide;hydrobromide.
Chemical Property Profile of Oxythiamine bromide monohydrobromide
Property Insights of Oxythiamine bromide monohydrobromide
The XLogP value of -2.09926 indicates that Oxythiamine bromide monohydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxythiamine bromide monohydrobromide. Following Lipinski's Rule of Five, Oxythiamine bromide monohydrobromide 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 bromide monohydrobromide?
The CAS number of Oxythiamine bromide monohydrobromide is 108051-45-2.
What is the molecular formula of Oxythiamine bromide monohydrobromide?
The molecular formula of Oxythiamine bromide monohydrobromide is C12H17Br2N3O2S.
What is the molecular weight of Oxythiamine bromide monohydrobromide?
The molecular weight of Oxythiamine bromide monohydrobromide is 424.94 g/mol.
Where can I buy Oxythiamine bromide monohydrobromide?
You can request a quote for Oxythiamine bromide monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxythiamine bromide monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Oxythiamine bromide monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.