Bromoacetylcholamine
TL;DR: Bromoacetylcholamine (CAS 76986-85-1) is a chemical compound with molecular formula C7H16Br2N2O and molecular weight 301.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromoacetyl)amino]ethyl-trimethylazanium bromide
Also Known As: Bromoacetylcholamine, BACBR, Bromoacetylcholamine bromide, 2-[(2-bromoacetyl)amino]ethyl-trimethylazanium;bromide, Ethanaminium, 2-((bromoacetyl)amino)-N,N,N-trimethyl-
| Molecular Formula | C7H16Br2N2O |
|---|---|
| Molecular Weight | 301.96 g/mol |
| LogP | -2.7923 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.96295 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 76986-85-1 |
|---|---|
| SMILES | C[N+](C)(C)CCNC(=O)CBr.[Br-] |
| InChIKey | PMWDVHBYZSEYBC-UHFFFAOYSA-N |
Product Overview
Bromoacetylcholamine (CAS 76986-85-1), with molecular formula C7H16Br2N2O and molecular weight 301.96 g/mol. IUPAC: 2-[(2-bromoacetyl)amino]ethyl-trimethylazanium bromide.
Chemical Property Profile of Bromoacetylcholamine
Property Insights of Bromoacetylcholamine
The XLogP value of -2.7923 indicates that Bromoacetylcholamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.1 Ų, Bromoacetylcholamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromoacetylcholamine has 1 hydrogen bond donor(s) and 2 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 Bromoacetylcholamine?
The CAS number of Bromoacetylcholamine is 76986-85-1.
What is the molecular formula of Bromoacetylcholamine?
The molecular formula of Bromoacetylcholamine is C7H16Br2N2O.
What is the molecular weight of Bromoacetylcholamine?
The molecular weight of Bromoacetylcholamine is 301.96 g/mol.
Where can I buy Bromoacetylcholamine?
You can request a quote for Bromoacetylcholamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoacetylcholamine?
Yes, KEHONG BIO provides custom synthesis services for Bromoacetylcholamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.