Thiamine bromide
TL;DR: Thiamine bromide (CAS 7019-71-8) is a chemical compound with molecular formula C12H17BrN4OS and molecular weight 344.03 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]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol bromide
Also Known As: Thiamine bromide, Thiaminbromid, THIAMINIUM BROMIDE, THIAMINE BROMIDE [WHO-DD], Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,bromide (1:1)
| Molecular Formula | C12H17BrN4OS |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | -2.39 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.03064 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 7019-71-8 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Br-] |
| InChIKey | URCYCZPVXXIFSR-UHFFFAOYSA-M |
Product Overview
Thiamine bromide (CAS 7019-71-8), with molecular formula C12H17BrN4OS and molecular weight 344.03 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol bromide.
Chemical Property Profile of Thiamine bromide
Property Insights of Thiamine bromide
The XLogP value of -2.39 indicates that Thiamine bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiamine bromide. Following Lipinski's Rule of Five, Thiamine bromide has 2 hydrogen bond donor(s) and 6 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 Thiamine bromide?
The CAS number of Thiamine bromide is 7019-71-8.
What is the molecular formula of Thiamine bromide?
The molecular formula of Thiamine bromide is C12H17BrN4OS.
What is the molecular weight of Thiamine bromide?
The molecular weight of Thiamine bromide is 344.03 g/mol.
Where can I buy Thiamine bromide?
You can request a quote for Thiamine bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine bromide?
Yes, KEHONG BIO provides custom synthesis services for Thiamine bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.