1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
TL;DR: 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) (CAS 68413-50-3) is a chemical compound with molecular formula C24H44ClNO2 and molecular weight 413.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-dodecylphenoxy)-2-hydroxypropyl]-trimethylazanium chloride
Also Known As: [3-2-hydroxypropyl]trimethylammoniumchloride|[3- -2-hydroxypropyl]trimethylammoniumchloride|2-Hydroxy-3-(4'-dodecylphenoxy)propyltrimethylammonium chloride|(2-Hydroxy-3-(4'-dodecylphenoxy)propyl)trimethylammonium chloride|[3-(4-Dodecylphenoxy)-2-hydroxypropyl]trimethylammonium chloride|1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride|1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)|3-(4-dodecylphenoxy)-2-hydroxy-n,n,n-trimethylpropan-1-aminium chloride|(3-(4-Dodecylphenoxy)-2-hydroxypropyl)trimethylammonium chloride|[3-(4-dodecylphenoxy)-2-hydroxypropyl]-trimethylazanium chloride|EINECS 270-222-2|RefChem:77077|DTXCID101026662|QJSUWTKXJNVMQU-UHFFFAOYSA-M
| Molecular Formula | C24H44ClNO2 |
|---|---|
| Molecular Weight | 413.31 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 413.30606 |
| Heavy Atoms | 28 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 68413-50-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)OCC(C[N+](C)(C)C)O.[Cl-] |
| InChIKey | QJSUWTKXJNVMQU-UHFFFAOYSA-M |
Product Overview
1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) (CAS 68413-50-3), with molecular formula C24H44ClNO2 and molecular weight 413.31 g/mol. IUPAC: [3-(4-dodecylphenoxy)-2-hydroxypropyl]-trimethylazanium chloride.
Chemical Property Profile of 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
Property Insights of 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1). With a topological polar surface area (TPSA) of 29.5 Ų, 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) has 1 hydrogen bond donor(s) and 3 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 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)?
The CAS number of 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) is 68413-50-3.
What is the molecular formula of 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)?
The molecular formula of 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) is C24H44ClNO2.
What is the molecular weight of 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)?
The molecular weight of 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) is 413.31 g/mol.
Where can I buy 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)?
You can request a quote for 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.