Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate
TL;DR: Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate (CAS 70436-42-9) is a chemical compound with molecular formula C31H49N3O6 and molecular weight 559.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenyl-3,5-bis(piperidin-1-ylmethyl)-1-propylpiperidine-4-carboxylate;oxalic acid
Also Known As: Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate, 4-Piperidinecarboxylic acid, 3,5-bis(1-piperidinylmethyl)-4-phenyl-1-propyl-, ethyl ester, ethanedioate, ethyl 4-phenyl-3,5-bis(piperidin-1-ylmethyl)-1-propylpiperidine-4-carboxylate; oxalic acid, Oxalic acid--ethyl 4-phenyl-3,5-bis[(piperidin-1-yl)methyl]-1-propylpiperidine-4-carboxylate (1/1), RefChem:295633
| Molecular Formula | C31H49N3O6 |
|---|---|
| Molecular Weight | 559.36 g/mol |
| LogP | 3.5729 |
| Topological Polar Surface Area | 110.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 559.3621 |
| Heavy Atoms | 40 |
| Complexity | 888.2582 |
Chemical Identifiers
| CAS Number | 70436-42-9 |
|---|---|
| SMILES | CCCN1CC(C(C(C1)CN2CCCCC2)(C3=CC=CC=C3)C(=O)OCC)CN4CCCCC4.C(=O)(C(=O)O)O |
Product Overview
Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate (CAS 70436-42-9), with molecular formula C31H49N3O6 and molecular weight 559.36 g/mol. IUPAC: ethyl 4-phenyl-3,5-bis(piperidin-1-ylmethyl)-1-propylpiperidine-4-carboxylate;oxalic acid.
Chemical Property Profile of Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate
Property Insights of Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate
The XLogP value of 3.5729 indicates that Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate. Following Lipinski's Rule of Five, Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate?
The CAS number of Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate is 70436-42-9.
What is the molecular formula of Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate?
The molecular formula of Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate is C31H49N3O6.
What is the molecular weight of Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate?
The molecular weight of Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate is 559.36 g/mol.
Where can I buy Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate?
You can request a quote for Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid, 3,5-bis(piperidinomethyl)-4-phenyl-1-propyl-, ethyl ester, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.