Pyrithiamine bromide hydrobromide
TL;DR: Pyrithiamine bromide hydrobromide (CAS 534-64-5) is a chemical compound with molecular formula C14H20Br2N4O and molecular weight 418.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol;bromide;hydrobromide
Also Known As: PYRITHIAMINE, Neopyrithiamine, Pyrithiamin, Pyrithiamine hydrobromide, Heterovitamin B 1
| Molecular Formula | C14H20Br2N4O |
|---|---|
| Molecular Weight | 418.00 g/mol |
| LogP | -1.87 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.99835 |
| Heavy Atoms | 21 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 534-64-5 |
|---|---|
| SMILES | CC1=C(C=CC=[N+]1CC2=CN=C(N=C2N)C)CCO.Br.[Br-] |
| InChIKey | DMVBWVASDWGFNH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrithiamine bromide hydrobromide (CAS 534-64-5), with molecular formula C14H20Br2N4O and molecular weight 418.00 g/mol. IUPAC: 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol;bromide;hydrobromide.
Chemical Property Profile of Pyrithiamine bromide hydrobromide
Property Insights of Pyrithiamine bromide hydrobromide
The XLogP value of -1.87 indicates that Pyrithiamine bromide hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrithiamine bromide hydrobromide. Following Lipinski's Rule of Five, Pyrithiamine bromide hydrobromide 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 Pyrithiamine bromide hydrobromide?
The CAS number of Pyrithiamine bromide hydrobromide is 534-64-5.
What is the molecular formula of Pyrithiamine bromide hydrobromide?
The molecular formula of Pyrithiamine bromide hydrobromide is C14H20Br2N4O.
What is the molecular weight of Pyrithiamine bromide hydrobromide?
The molecular weight of Pyrithiamine bromide hydrobromide is 418.00 g/mol.
Where can I buy Pyrithiamine bromide hydrobromide?
You can request a quote for Pyrithiamine bromide hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrithiamine bromide hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pyrithiamine bromide hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.