Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester
TL;DR: Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester (CAS 62988-53-8) is a chemical compound with molecular formula C23H37BrClNO2 and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-4-(2-bromophenyl)-3-methylbut-2-enyl]-diethyl-(2-hexoxy-2-oxoethyl)azanium chloride
Also Known As: Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester, (3-(o-Bromobenzyl)-2-butenyl)diethyl(hexyloxycarbonylmethyl)ammonium chloride, [(Z)-4-(2-bromophenyl)-3-methylbut-2-enyl]-diethyl-(2-hexoxy-2-oxoethyl)azanium chloride, AMMONIUM, (3-(o-BROMOBENZYL)-2-BUTENYL)(CARBOXYMETHYL)DIETHYL-, CHLORIDE, HEXYL, 2-Buten-1-aminium, 4-(2-bromophenyl)-N,N-diethyl-N-[2-(hexyloxy)-2-oxoethyl]-3-methyl-, chloride
| Molecular Formula | C23H37BrClNO2 |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 2.922 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 473.16962 |
| Heavy Atoms | 28 |
| Complexity | 600.02 |
Chemical Identifiers
| CAS Number | 62988-53-8 |
|---|---|
| SMILES | CCCCCCOC(=O)C[N+](CC)(CC)C/C=C(/C)\CC1=CC=CC=C1Br.[Cl-] |
Product Overview
Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester (CAS 62988-53-8), with molecular formula C23H37BrClNO2 and molecular weight 473.17 g/mol. IUPAC: [(Z)-4-(2-bromophenyl)-3-methylbut-2-enyl]-diethyl-(2-hexoxy-2-oxoethyl)azanium chloride.
Chemical Property Profile of Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester
Property Insights of Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester
The XLogP value of 2.922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester has 0 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 Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester?
The CAS number of Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester is 62988-53-8.
What is the molecular formula of Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester?
The molecular formula of Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester is C23H37BrClNO2.
What is the molecular weight of Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester?
The molecular weight of Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester is 473.17 g/mol.
Where can I buy Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester?
You can request a quote for Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.