RefChem:261339
TL;DR: RefChem:261339 (CAS 10537-03-8) is a chemical compound with molecular formula C29H40N2O9 and molecular weight 560.2734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-hydroxy-2-oxoacetate);[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]-(2-piperidin-1-ium-1-ylethyl)azanium
Also Known As: N-(2-Piperidinoethyl)-beta-tetrahydrofurfuryl-1-naphthalenepropylamine bioxalate, 2-Furanpropylamine, tetrahydro-beta-(1-naphthylmethyl)-N-(2-piperidinoethyl)-, bioxalate, 1-Naphthalenepropylamine, N-(2-piperidinoethyl)-beta-(tetrahydrofurfuryl)-, bioxalate, 2-hydroxy-2-oxoacetate;[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]-(2-piperidin-1-ium-1-ylethyl)azanium, 2-Furanpropylamine,tetrahydro-beta-(1-naphthylmethyl)-N-(2-piperidinoethyl)-,bioxalate
Technical Specifications
| Molecular Formula | C29H40N2O9 |
| Molecular Weight | 560.2734 g/mol |
| XLogP | -2.16 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.2734 Da |
| Heavy Atoms | 40 |
| Complexity | 514.0 |
| SMILES | C1CC[NH+](CC1)CC[NH2+]CC(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
| InChIKey | LCLOTVRQFKKGCI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:261339
Property Insights of RefChem:261339
The XLogP value of -2.16 indicates that RefChem:261339 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting RefChem:261339 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:261339 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:261339?
The CAS number of RefChem:261339 is 10537-03-8.
What is the molecular formula of RefChem:261339?
The molecular formula of RefChem:261339 is C29H40N2O9.
What is the molecular weight of RefChem:261339?
The molecular weight of RefChem:261339 is 560.2734 g/mol.
Where can I buy RefChem:261339?
You can request a quote for RefChem:261339 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:261339?
Yes, CoreyChem provides custom synthesis services for RefChem:261339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.