Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate
TL;DR: Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate (CAS 40616-81-7) is a chemical compound with molecular formula C14H19BrINO4 and molecular weight 470.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-ethyl-(3-iodopropyl)azanium;2-hydroxy-2-oxoacetate
Also Known As: o-Bromo-N-ethyl-N-(3-iodopropyl)benzylamine oxalate, BENZYLAMINE, o-BROMO-N-ETHYL-N-(3-IODOPROPYL)-, OXALATE, N-(2-Bromobenzyl)-N-(3-iodopropyl)ethylamine oxalate, (2-bromophenyl)methyl-ethyl-(3-iodopropyl)azanium; 2-hydroxy-2-oxoacetate, N-[(2-Bromophenyl)methyl]-N-ethyl-3-iodopropan-1-aminium hydrogen ethanedioate
| Molecular Formula | C14H19BrINO4 |
|---|---|
| Molecular Weight | 470.95 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.95422 |
| Heavy Atoms | 21 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 40616-81-7 |
|---|---|
| SMILES | CC[NH+](CCCI)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O |
| InChIKey | AEUSXTQEDGWDIE-UHFFFAOYSA-N |
Product Overview
Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate (CAS 40616-81-7), with molecular formula C14H19BrINO4 and molecular weight 470.95 g/mol. IUPAC: (2-bromophenyl)methyl-ethyl-(3-iodopropyl)azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate
Property Insights of Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate. Following Lipinski's Rule of Five, Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, 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-ethyl-N-(3-iodopropyl)-, oxalate?
The CAS number of Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate is 40616-81-7.
What is the molecular formula of Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate?
The molecular formula of Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate is C14H19BrINO4.
What is the molecular weight of Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate?
The molecular weight of Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate is 470.95 g/mol.
Where can I buy Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate?
You can request a quote for Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, 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-ethyl-N-(3-iodopropyl)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.