Bromotrimethylammoniumbimane Bromide
TL;DR: Bromotrimethylammoniumbimane Bromide (CAS 7169-91-7) is a chemical compound with molecular formula C13H19Br2N3O2 and molecular weight 406.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(bromomethyl)-2,6-dimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-1-yl]methyl-trimethylazanium bromide
Also Known As: qBBr, Bromotrimethylammoniumbimane Bromide, Thiolyte MQ, Bromobimane q, Bromotrimethylammoniumbimame bromide
| Molecular Formula | C13H19Br2N3O2 |
|---|---|
| Molecular Weight | 406.98 g/mol |
| LogP | -2.08106 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.9844 |
| Heavy Atoms | 20 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 7169-91-7 |
|---|---|
| SMILES | CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C[N+](C)(C)C.[Br-] |
| InChIKey | FCRPMMVPBVOKQS-UHFFFAOYSA-M |
Product Overview
Bromotrimethylammoniumbimane Bromide (CAS 7169-91-7), with molecular formula C13H19Br2N3O2 and molecular weight 406.98 g/mol. IUPAC: [7-(bromomethyl)-2,6-dimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-1-yl]methyl-trimethylazanium bromide.
Chemical Property Profile of Bromotrimethylammoniumbimane Bromide
Property Insights of Bromotrimethylammoniumbimane Bromide
The XLogP value of -2.08106 indicates that Bromotrimethylammoniumbimane Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.6 Ų, Bromotrimethylammoniumbimane Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromotrimethylammoniumbimane Bromide has 0 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 Bromotrimethylammoniumbimane Bromide?
The CAS number of Bromotrimethylammoniumbimane Bromide is 7169-91-7.
What is the molecular formula of Bromotrimethylammoniumbimane Bromide?
The molecular formula of Bromotrimethylammoniumbimane Bromide is C13H19Br2N3O2.
What is the molecular weight of Bromotrimethylammoniumbimane Bromide?
The molecular weight of Bromotrimethylammoniumbimane Bromide is 406.98 g/mol.
Where can I buy Bromotrimethylammoniumbimane Bromide?
You can request a quote for Bromotrimethylammoniumbimane Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromotrimethylammoniumbimane Bromide?
Yes, KEHONG BIO provides custom synthesis services for Bromotrimethylammoniumbimane Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.