Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate
TL;DR: Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate (CAS 40616-84-0) is a chemical compound with molecular formula C15H19BrClNO4 and molecular weight 391.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-(3-chloropropyl)-prop-2-enylazanium;2-hydroxy-2-oxoacetate
Also Known As: N-Allyl-o-bromo-N-(3-chloropropyl)benzylamine oxalate, BENZYLAMINE, N-ALLYL-o-BROMO-N-(3-CHLOROPROPYL)-, OXALATE, (2-bromophenyl)methyl-(3-chloropropyl)-prop-2-enylazanium; 2-hydroxy-2-oxoacetate, N-[(2-Bromophenyl)methyl]-N-(3-chloropropyl)prop-2-en-1-aminium hydrogen ethanedioate, RefChem:328817
| Molecular Formula | C15H19BrClNO4 |
|---|---|
| Molecular Weight | 391.02 g/mol |
| LogP | 0.47 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.0186 |
| Heavy Atoms | 22 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 40616-84-0 |
|---|---|
| SMILES | C=CC[NH+](CCCCl)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O |
| InChIKey | DTNUGUVEXBLWGG-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate (CAS 40616-84-0), with molecular formula C15H19BrClNO4 and molecular weight 391.02 g/mol. IUPAC: (2-bromophenyl)methyl-(3-chloropropyl)-prop-2-enylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate
Property Insights of Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate
The XLogP value of 0.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate. Following Lipinski's Rule of Five, Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, 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, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate?
The CAS number of Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate is 40616-84-0.
What is the molecular formula of Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate?
The molecular formula of Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate is C15H19BrClNO4.
What is the molecular weight of Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate?
The molecular weight of Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate is 391.02 g/mol.
Where can I buy Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate?
You can request a quote for Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.