Choline, iodide, dibenzylcarbamate
TL;DR: Choline, iodide, dibenzylcarbamate (CAS 63939-04-8) is a chemical compound with molecular formula C20H27IN2O2 and molecular weight 454.11172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dibenzylcarbamoyloxy)ethyl-trimethylazanium iodide
Also Known As: Choline, iodide, dibenzylcarbamate, O-Dibenzylcarbamoyl-cholin-jodid, CHOLINE IODIDE DIBENZYLCARBAMATE, N-Dibenzylurethane of trimethyl-2-hydroxyethylammonium iodide, Ammonium, (2-(N,N-dibenzylcarbamoyloxy)ethyl)trimethyl-, iodide
Technical Specifications
| Molecular Formula | C20H27IN2O2 |
| Molecular Weight | 454.11172 g/mol |
| XLogP | 0.54 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.11172 Da |
| Heavy Atoms | 25 |
| Complexity | 346.0 |
| SMILES | C[N+](C)(C)CCOC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2.[I-] |
| InChIKey | YHVJDANVGCOMEE-UHFFFAOYSA-M |
Chemical Property Profile of Choline, iodide, dibenzylcarbamate
Property Insights of Choline, iodide, dibenzylcarbamate
The XLogP value of 0.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Choline, iodide, dibenzylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Choline, iodide, dibenzylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, iodide, dibenzylcarbamate has 0 hydrogen bond donor(s) and 3 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, iodide, dibenzylcarbamate?
The CAS number of Choline, iodide, dibenzylcarbamate is 63939-04-8.
What is the molecular formula of Choline, iodide, dibenzylcarbamate?
The molecular formula of Choline, iodide, dibenzylcarbamate is C20H27IN2O2.
What is the molecular weight of Choline, iodide, dibenzylcarbamate?
The molecular weight of Choline, iodide, dibenzylcarbamate is 454.11172 g/mol.
Where can I buy Choline, iodide, dibenzylcarbamate?
You can request a quote for Choline, iodide, dibenzylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Choline, iodide, dibenzylcarbamate?
Yes, CoreyChem provides custom synthesis services for Choline, iodide, dibenzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.