Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate
TL;DR: Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate (CAS 40616-91-9) is a chemical compound with molecular formula C17H25BrClNO4 and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-(6-chlorohexyl)-ethylazanium;2-hydroxy-2-oxoacetate
Also Known As: o-Bromo-N-(6-chlorohexyl)-N-ethylbenzylamine oxalate, BENZYLAMINE, o-BROMO-N-(6-CHLOROHEXYL)-N-ETHYL-, OXALATE, (2-bromophenyl)methyl-(6-chlorohexyl)-ethylazanium; 2-hydroxy-2-oxoacetate, N-[(2-Bromophenyl)methyl]-6-chloro-N-ethylhexan-1-aminium hydrogen ethanedioate, RefChem:328834
| Molecular Formula | C17H25BrClNO4 |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 1.47 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.06555 |
| Heavy Atoms | 24 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 40616-91-9 |
|---|---|
| SMILES | CC[NH+](CCCCCCCl)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O |
| InChIKey | ZUFLKUSVKHHTPD-UHFFFAOYSA-N |
Product Overview
Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate (CAS 40616-91-9), with molecular formula C17H25BrClNO4 and molecular weight 421.07 g/mol. IUPAC: (2-bromophenyl)methyl-(6-chlorohexyl)-ethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate
Property Insights of Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate
The XLogP value of 1.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate. Following Lipinski's Rule of Five, Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate has 2 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 Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate?
The CAS number of Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate is 40616-91-9.
What is the molecular formula of Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate?
The molecular formula of Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate is C17H25BrClNO4.
What is the molecular weight of Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate?
The molecular weight of Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate is 421.07 g/mol.
Where can I buy Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate?
You can request a quote for Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, o-bromo-N-(6-chlorohexyl)-N-ethyl-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.