RefChem:1076747
TL;DR: RefChem:1076747 (CAS 62988-54-9) is a chemical compound with molecular formula C24H39BrClNO2 and molecular weight 487.19 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-heptoxy-2-oxoethyl)azanium chloride
Also Known As: (3-(o-Bromobenzyl)-2-butenyl)diethyl(heptyloxycarbonylmethyl)ammonium chloride, Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, heptyl ester, [(Z)-4-(2-bromophenyl)-3-methylbut-2-enyl]-diethyl-(2-heptoxy-2-oxoethyl)azanium chloride, AMMONIUM, (3-(o-BROMOBENZYL)-2-BUTENYL)(CARBOXYMETHYL)DIETHYL-, CHLORIDE, HEPTYL, 2-Buten-1-aminium, 4-(2-bromophenyl)-N,N-diethyl-N-[2-(heptyloxy)-2-oxoethyl]-3-methyl-, chloride
| Molecular Formula | C24H39BrClNO2 |
|---|---|
| Molecular Weight | 487.19 g/mol |
| LogP | 3.3121 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 487.18527 |
| Heavy Atoms | 29 |
| Complexity | 614.65314 |
Chemical Identifiers
| CAS Number | 62988-54-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)C[N+](CC)(CC)C/C=C(/C)\CC1=CC=CC=C1Br.[Cl-] |
Product Overview
RefChem:1076747 (CAS 62988-54-9), with molecular formula C24H39BrClNO2 and molecular weight 487.19 g/mol. IUPAC: [(Z)-4-(2-bromophenyl)-3-methylbut-2-enyl]-diethyl-(2-heptoxy-2-oxoethyl)azanium chloride.
Chemical Property Profile of RefChem:1076747
Property Insights of RefChem:1076747
The XLogP value of 3.3121 indicates that RefChem:1076747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:1076747 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076747 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 RefChem:1076747?
The CAS number of RefChem:1076747 is 62988-54-9.
What is the molecular formula of RefChem:1076747?
The molecular formula of RefChem:1076747 is C24H39BrClNO2.
What is the molecular weight of RefChem:1076747?
The molecular weight of RefChem:1076747 is 487.19 g/mol.
Where can I buy RefChem:1076747?
You can request a quote for RefChem:1076747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076747?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.