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Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]
TL;DR: Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] (CAS 57612-06-3) is a chemical compound with molecular formula C28H36N2O10 and molecular weight 560.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 1-benzyl-4-(benzylamino)piperidine-4-carboxylate;oxalic acid
Also Known As: Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French], 4-Piperidinecarboxylic acid, 1-(phenylmethyl)-4-((phenylmehyl)amino)-, butyl ester, ethanedioate (1:2), Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle, butyl 1-benzyl-4-(benzylamino)piperidine-4-carboxylate; oxalic acid, 4-Piperidinecarboxylic acid, 1-(phenylmethyl)-4-((phenylmethyl)amino)-, butyl ester, ethanedioate (1:2)
| Molecular Formula | C28H36N2O10 |
|---|---|
| Molecular Weight | 560.24 g/mol |
| LogP | 2.4655 |
| Topological Polar Surface Area | 190.77 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.237 |
| Heavy Atoms | 40 |
| Complexity | 1036.7838 |
Chemical Identifiers
| CAS Number | 57612-06-3 |
|---|---|
| SMILES | CCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] (CAS 57612-06-3), with molecular formula C28H36N2O10 and molecular weight 560.24 g/mol. IUPAC: butyl 1-benzyl-4-(benzylamino)piperidine-4-carboxylate;oxalic acid.
Chemical Property Profile of Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]
Property Insights of Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]
The XLogP value of 2.4655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]. The TPSA of 190.77 Ų indicates high polarity, suggesting Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]?
The CAS number of Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] is 57612-06-3.
What is the molecular formula of Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]?
The molecular formula of Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] is C28H36N2O10.
What is the molecular weight of Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]?
The molecular weight of Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] is 560.24 g/mol.
Where can I buy Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]?
You can request a quote for Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]?
Yes, KEHONG BIO provides custom synthesis services for Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.