Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate
TL;DR: Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate (CAS 100857-68-9) is a chemical compound with molecular formula C20H27N2O3P and molecular weight 374.17593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(naphthalen-1-ylmethyl)-2,3-dihydropyrrol-1-yl]-[2-(trimethylazaniumyl)ethoxy]phosphinate
Also Known As: Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate, [5-(naphthalen-1-ylmethyl)-2,3-dihydropyrrol-1-yl]-[2-(trimethylazaniumyl)ethoxy]phosphinate, 2-(Trimethylazaniumyl)ethyl {5-[(naphthalen-1-yl)methyl]-2,3-dihydro-1H-pyrrol-1-yl}phosphonate, 2-[hydroxy-[5-(naphthalen-1-ylmethyl)-2,3-dihydropyrrol-1-yl]phosphoryl]oxyethyl-trimethylazanium, Ethanaminium,2-[[[2,3-dihydro-5-(1-naphthalenylmethyl)-1H-pyrrol-1-yl]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt
Technical Specifications
| Molecular Formula | C20H27N2O3P |
| Molecular Weight | 374.17593 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.17593 Da |
| Heavy Atoms | 26 |
| Complexity | 549.0 |
| SMILES | C[N+](C)(C)CCOP(=O)(N1CCC=C1CC2=CC=CC3=CC=CC=C32)[O-] |
| InChIKey | KFSNTMMFEDPGOK-UHFFFAOYSA-N |
Chemical Property Profile of Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate
Property Insights of Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate
The XLogP value of 3.0 indicates that Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate?
The CAS number of Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate is 100857-68-9.
What is the molecular formula of Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate?
The molecular formula of Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate is C20H27N2O3P.
What is the molecular weight of Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate?
The molecular weight of Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate is 374.17593 g/mol.
Where can I buy Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate?
You can request a quote for Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate?
Yes, CoreyChem provides custom synthesis services for Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.