Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate
TL;DR: Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate (CAS 99950-26-2) is a chemical compound with molecular formula C20H27BrN2O2 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium bromide
Also Known As: 1314 HC, Benzyldiethyl(2-hydroxyethyl)ammonium bromide carbanilate, AMMONIUM, BENZYLDIETHYL(2-HYDROXYETHYL)-, BROMIDE, CARBANILATE, benzyl-diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium bromide
| Molecular Formula | C20H27BrN2O2 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.12558 |
| Heavy Atoms | 25 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 99950-26-2 |
|---|---|
| SMILES | CC[N+](CC)(CCOC(=O)NC1=CC=CC=C1)CC2=CC=CC=C2.[Br-] |
| InChIKey | KTADIWCOHYZPJN-UHFFFAOYSA-N |
Product Overview
Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate (CAS 99950-26-2), with molecular formula C20H27BrN2O2 and molecular weight 406.13 g/mol. IUPAC: benzyl-diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium bromide.
Chemical Property Profile of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate
Property Insights of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate has 1 hydrogen bond donor(s) and 3 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, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate?
The CAS number of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate is 99950-26-2.
What is the molecular formula of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate?
The molecular formula of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate is C20H27BrN2O2.
What is the molecular weight of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate?
The molecular weight of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate is 406.13 g/mol.
Where can I buy Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate?
You can request a quote for Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, carbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.