![diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate structure](/static/products/1053/105376-91-8.webp)
diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate
TL;DR: diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate (CAS 105376-91-8) is a chemical compound with molecular formula C27H43N3O11 and molecular weight 585.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium;bis(2-hydroxy-2-oxoacetate)
Also Known As: diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate, CARBAMIC ACID, (2-(PENTYLOXY)PHENYL)-, 1-((DIETHYLAMINO)METHYL)-2-(1-PYRROLIDINY, 1-[3-(Diethylazaniumyl)-2-({[2-(pentyloxy)phenyl]carbamoyl}oxy)propyl]pyrrolidin-1-ium bis(hydrogen ethanedioate), diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C27H43N3O11 |
|---|---|
| Molecular Weight | 585.29 g/mol |
| LogP | -2.58 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 585.28973 |
| Heavy Atoms | 41 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 105376-91-8 |
|---|---|
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
| InChIKey | IDTVROIKCGTJQC-UHFFFAOYSA-N |
Product Overview
diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate (CAS 105376-91-8), with molecular formula C27H43N3O11 and molecular weight 585.29 g/mol. IUPAC: diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium;bis(2-hydroxy-2-oxoacetate).
Chemical Property Profile of diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate
Property Insights of diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate
The XLogP value of -2.58 indicates that diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate?
The CAS number of diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate is 105376-91-8.
What is the molecular formula of diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate?
The molecular formula of diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate is C27H43N3O11.
What is the molecular weight of diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate?
The molecular weight of diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate is 585.29 g/mol.
Where can I buy diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate?
You can request a quote for diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate?
Yes, KEHONG BIO provides custom synthesis services for diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.