Heteronium Bromide
TL;DR: Heteronium Bromide (CAS 7247-57-6) is a chemical compound with molecular formula C18H22BrNO3S and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Heteronium Bromide
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide
Also Known As: HETERONIUM BROMIDE, Hetrum bromide, Heteronium, Heteronii bromidum, Bromure d'heteronium
| Molecular Formula | C18H22BrNO3S |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | -0.62 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.05038 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 7247-57-6 |
|---|---|
| SMILES | C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C.[Br-] |
| InChIKey | SHPIBZXFYWMQBR-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heteronium Bromide (CAS 7247-57-6), with molecular formula C18H22BrNO3S and molecular weight 411.05 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide.
Chemical Property Profile of Heteronium Bromide
Property Insights of Heteronium Bromide
The XLogP value of -0.62 indicates that Heteronium Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Heteronium Bromide. Following Lipinski's Rule of Five, Heteronium Bromide has 1 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 Heteronium Bromide?
The CAS number of Heteronium Bromide is 7247-57-6.
What is the molecular formula of Heteronium Bromide?
The molecular formula of Heteronium Bromide is C18H22BrNO3S.
What is the molecular weight of Heteronium Bromide?
The molecular weight of Heteronium Bromide is 411.05 g/mol.
Where can I buy Heteronium Bromide?
You can request a quote for Heteronium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heteronium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Heteronium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.