Acetylpyrrolidinecholine
TL;DR: Acetylpyrrolidinecholine (CAS 54377-96-7) is a chemical compound with molecular formula C9H18NO2+ and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpyrrolidin-1-ium-1-yl)ethyl acetate
Also Known As: Acetylpyrrolidinecholine, 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl acetate, Pyrrolidinium, 1-(2-(acetyloxy)ethyl)-1-methyl-, Pyrrolidinium,1-(2-(acetyloxy)ethyl)-1-methyl, 1-[2-(ACETYLOXY)ETHYL]-1-METHYLPYRROLIDIN-1-IUM
| Molecular Formula | C9H18NO2+ |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 0.7899 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.13376 |
| Heavy Atoms | 12 |
| Complexity | 161.91147 |
Chemical Identifiers
| CAS Number | 54377-96-7 |
|---|---|
| SMILES | CC(=O)OCC[N+]1(CCCC1)C |
Product Overview
Acetylpyrrolidinecholine (CAS 54377-96-7), with molecular formula C9H18NO2+ and molecular weight 172.13 g/mol. IUPAC: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl acetate.
Chemical Property Profile of Acetylpyrrolidinecholine
Property Insights of Acetylpyrrolidinecholine
The XLogP value of 0.7899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylpyrrolidinecholine. With a topological polar surface area (TPSA) of 26.3 Ų, Acetylpyrrolidinecholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylpyrrolidinecholine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylpyrrolidinecholine?
The CAS number of Acetylpyrrolidinecholine is 54377-96-7.
What is the molecular formula of Acetylpyrrolidinecholine?
The molecular formula of Acetylpyrrolidinecholine is C9H18NO2+.
What is the molecular weight of Acetylpyrrolidinecholine?
The molecular weight of Acetylpyrrolidinecholine is 172.13 g/mol.
Where can I buy Acetylpyrrolidinecholine?
You can request a quote for Acetylpyrrolidinecholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylpyrrolidinecholine?
Yes, KEHONG BIO provides custom synthesis services for Acetylpyrrolidinecholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.