Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate
TL;DR: Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate (CAS 94946-40-4) is a chemical compound with molecular formula C10H19BrN2O2 and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxyethyl-(3-cyanopropyl)-dimethylazanium bromide
Also Known As: 2531 I.S., (3-Cyanopropyl)(2-hydroxyethyl)dimethylammonium bromide acetate, 2531 I.S, AMMONIUM, (3-CYANOPROPYL)(2-HYDROXYETHYL)DIMETHYL-, BROMIDE, ACETATE, 2-acetyloxyethyl-(3-cyanopropyl)-dimethylazanium bromide
| Molecular Formula | C10H19BrN2O2 |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | -2.07 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.063 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 94946-40-4 |
|---|---|
| SMILES | CC(=O)OCC[N+](C)(C)CCCC#N.[Br-] |
| InChIKey | KNGLVMKTPMMWOL-UHFFFAOYSA-M |
Product Overview
Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate (CAS 94946-40-4), with molecular formula C10H19BrN2O2 and molecular weight 278.06 g/mol. IUPAC: 2-acetyloxyethyl-(3-cyanopropyl)-dimethylazanium bromide.
Chemical Property Profile of Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate
Property Insights of Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate
The XLogP value of -2.07 indicates that Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.1 Ų, Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate 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 Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate?
The CAS number of Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate is 94946-40-4.
What is the molecular formula of Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate?
The molecular formula of Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate is C10H19BrN2O2.
What is the molecular weight of Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate?
The molecular weight of Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate is 278.06 g/mol.
Where can I buy Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate?
You can request a quote for Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.