Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate
TL;DR: Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate (CAS 55019-66-4) is a chemical compound with molecular formula C22H30BrNO3 and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide
Also Known As: Butyldimethyl(2-hydroxyethyl)ammonium bromide benzilate, Benzilsaeure-butyl-dimethyl-ammonium-aethylester-bromide, Benzilsaeure-butyl-dimethyl-ammonium-aethylester-bromide [German], AMMONIUM, BUTYLDIMETHYL(2-HYDROXYETHYL)-, BROMIDE, BENZILATE, butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide
| Molecular Formula | C22H30BrNO3 |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 0.35 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 435.1409 |
| Heavy Atoms | 27 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 55019-66-4 |
|---|---|
| SMILES | CCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-] |
| InChIKey | QEQZIZQFEVNSQP-UHFFFAOYSA-M |
Product Overview
Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate (CAS 55019-66-4), with molecular formula C22H30BrNO3 and molecular weight 435.14 g/mol. IUPAC: butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide.
Chemical Property Profile of Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate
Property Insights of Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate
The XLogP value of 0.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate. With a topological polar surface area (TPSA) of 46.5 Ų, Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate has 1 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, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate?
The CAS number of Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate is 55019-66-4.
What is the molecular formula of Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate?
The molecular formula of Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate is C22H30BrNO3.
What is the molecular weight of Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate?
The molecular weight of Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate is 435.14 g/mol.
Where can I buy Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate?
You can request a quote for Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.