acetyl-N,N-diethylhomocholine
TL;DR: acetyl-N,N-diethylhomocholine (CAS 5452-03-9) is a chemical compound with molecular formula C10H22NO2+ and molecular weight 188.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyloxypropyl-diethyl-methylazanium
Also Known As: Adehch, Acetyl-N,N-diethylhomocholine, 3-acetyloxypropyl-diethyl-methylazanium, 1-Propanaminium, 3-(acetyloxy)-N,N-diethyl-N-methyl-, 3-(acetyloxy)-N,N-diethyl-N-methylpropan-1-aminium
| Molecular Formula | C10H22NO2+ |
|---|---|
| Molecular Weight | 188.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.16505 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5452-03-9 |
|---|---|
| SMILES | CC[N+](C)(CC)CCCOC(=O)C |
| InChIKey | FQUMNESKJTUWDP-UHFFFAOYSA-N |
Product Overview
acetyl-N,N-diethylhomocholine (CAS 5452-03-9), with molecular formula C10H22NO2+ and molecular weight 188.17 g/mol. IUPAC: 3-acetyloxypropyl-diethyl-methylazanium.
Chemical Property Profile of acetyl-N,N-diethylhomocholine
Property Insights of acetyl-N,N-diethylhomocholine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for acetyl-N,N-diethylhomocholine. With a topological polar surface area (TPSA) of 26.3 Ų, acetyl-N,N-diethylhomocholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, acetyl-N,N-diethylhomocholine 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 acetyl-N,N-diethylhomocholine?
The CAS number of acetyl-N,N-diethylhomocholine is 5452-03-9.
What is the molecular formula of acetyl-N,N-diethylhomocholine?
The molecular formula of acetyl-N,N-diethylhomocholine is C10H22NO2+.
What is the molecular weight of acetyl-N,N-diethylhomocholine?
The molecular weight of acetyl-N,N-diethylhomocholine is 188.17 g/mol.
Where can I buy acetyl-N,N-diethylhomocholine?
You can request a quote for acetyl-N,N-diethylhomocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for acetyl-N,N-diethylhomocholine?
Yes, KEHONG BIO provides custom synthesis services for acetyl-N,N-diethylhomocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.