RefChem:1087645
TL;DR: RefChem:1087645 (CAS 13451-60-0) is a chemical compound with molecular formula C34H42N2O10 and molecular weight 638.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenyl-1-(2-phenyl-2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-ium-4-carboxylate;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: Isonipecotic acid, 4-phenyl-1-(beta-(1-pyrrolidinyl)phenethyl)-, ethyl ester, maleate (1:2), 4-Phenyl-1-(beta-(1-pyrrolidinyl)phenethyl)isonipecotic acid ethyl ester maleate (1:2), ethyl 4-phenyl-1-(2-phenyl-2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-ium-4-carboxylate; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1087645
| Molecular Formula | C34H42N2O10 |
|---|---|
| Molecular Weight | 638.28 g/mol |
| LogP | -1.6596 |
| Topological Polar Surface Area | 190.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 638.28394 |
| Heavy Atoms | 46 |
| Complexity | 1264.2125 |
Chemical Identifiers
| CAS Number | 13451-60-0 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CC([NH+]2CCCC2)C3=CC=CC=C3)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1087645 (CAS 13451-60-0), with molecular formula C34H42N2O10 and molecular weight 638.28 g/mol. IUPAC: ethyl 4-phenyl-1-(2-phenyl-2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-ium-4-carboxylate;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of RefChem:1087645
Property Insights of RefChem:1087645
The XLogP value of -1.6596 indicates that RefChem:1087645 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.04 Ų indicates high polarity, suggesting RefChem:1087645 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1087645 has 4 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 RefChem:1087645?
The CAS number of RefChem:1087645 is 13451-60-0.
What is the molecular formula of RefChem:1087645?
The molecular formula of RefChem:1087645 is C34H42N2O10.
What is the molecular weight of RefChem:1087645?
The molecular weight of RefChem:1087645 is 638.28 g/mol.
Where can I buy RefChem:1087645?
You can request a quote for RefChem:1087645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087645?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.