Pyrrolcholine
TL;DR: Pyrrolcholine (CAS 45651-66-9) is a chemical compound with molecular formula C7H16NO+ and molecular weight 130.12 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)ethanol
Also Known As: Pyrrolcholine, Pyrrolidinocholine, Pyrrolidinecholine, N-Hydroxyethylpyrrolidinium methiodide, Pyrrolidinium, 1-(2-hydroxyethyl)-1-methyl-
| Molecular Formula | C7H16NO+ |
|---|---|
| Molecular Weight | 130.12 g/mol |
| LogP | 0.2191 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.12318 |
| Heavy Atoms | 9 |
| Complexity | 86.91694 |
Chemical Identifiers
| CAS Number | 45651-66-9 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCO |
Product Overview
Pyrrolcholine (CAS 45651-66-9), with molecular formula C7H16NO+ and molecular weight 130.12 g/mol. IUPAC: 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol.
Chemical Property Profile of Pyrrolcholine
Property Insights of Pyrrolcholine
The XLogP value of 0.2191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolcholine. With a topological polar surface area (TPSA) of 20.23 Ų, Pyrrolcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolcholine has 1 hydrogen bond donor(s) and 1 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 Pyrrolcholine?
The CAS number of Pyrrolcholine is 45651-66-9.
What is the molecular formula of Pyrrolcholine?
The molecular formula of Pyrrolcholine is C7H16NO+.
What is the molecular weight of Pyrrolcholine?
The molecular weight of Pyrrolcholine is 130.12 g/mol.
Where can I buy Pyrrolcholine?
You can request a quote for Pyrrolcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolcholine?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.