Pyrrolidinium, inner salt
TL;DR: Pyrrolidinium, inner salt (CAS 13012-14-1) is a chemical compound with molecular formula C39H71N3O6 and molecular weight 677.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoate
Also Known As: Pyrrolidinium, inner salt, 6-[1-(2-{2-[3-(octadecyloxy)-2-(pyrimidin-2-yloxy)propoxy]ethoxy}ethyl)pyrrolidinium-1-yl]hexanoate, 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoate, 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]e, Pyrrolidinium,1-(5-carboxypentyl)-1-[2-[2-[3-(octadecyloxy)-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]-,inner salt
| Molecular Formula | C39H71N3O6 |
|---|---|
| Molecular Weight | 677.53 g/mol |
| LogP | 10.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 34 |
| Exact Mass | 677.5343 |
| Heavy Atoms | 48 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 13012-14-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)CCCCCC(=O)[O-])OC2=NC=CC=N2 |
| InChIKey | AKLBMELLFAFCPP-UHFFFAOYSA-N |
Product Overview
Pyrrolidinium, inner salt (CAS 13012-14-1), with molecular formula C39H71N3O6 and molecular weight 677.53 g/mol. IUPAC: 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoate.
Chemical Property Profile of Pyrrolidinium, inner salt
Property Insights of Pyrrolidinium, inner salt
The XLogP value of 10.7 indicates that Pyrrolidinium, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidinium, inner salt. Following Lipinski's Rule of Five, Pyrrolidinium, inner salt has 0 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 Pyrrolidinium, inner salt?
The CAS number of Pyrrolidinium, inner salt is 13012-14-1.
What is the molecular formula of Pyrrolidinium, inner salt?
The molecular formula of Pyrrolidinium, inner salt is C39H71N3O6.
What is the molecular weight of Pyrrolidinium, inner salt?
The molecular weight of Pyrrolidinium, inner salt is 677.53 g/mol.
Where can I buy Pyrrolidinium, inner salt?
You can request a quote for Pyrrolidinium, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidinium, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidinium, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.