1,2-Bis(hexadecyloxy)-3-trimethylaminopropane
TL;DR: 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane (CAS 138797-39-4) is a chemical compound with molecular formula C38H80ClNO2 and molecular weight 617.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihexadecoxypropyl(trimethyl)azanium chloride
Also Known As: Bishop, 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane, 2,3-dihexadecoxypropyl(trimethyl)azanium chloride, 2,3-dihexadecoxypropyl(trimethyl)azanium;chloride, 2,3-dihexadecoxypropyl-trimethylazanium chloride
| Molecular Formula | C38H80ClNO2 |
|---|---|
| Molecular Weight | 617.59 g/mol |
| LogP | 9.061 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 35 |
| Exact Mass | 617.58777 |
| Heavy Atoms | 42 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 138797-39-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCCCCCCCCC.[Cl-] |
| InChIKey | RLKJVRDMIQCNGX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(hexadecyloxy)-3-trimethylaminopropane (CAS 138797-39-4), with molecular formula C38H80ClNO2 and molecular weight 617.59 g/mol. IUPAC: 2,3-dihexadecoxypropyl(trimethyl)azanium chloride.
Chemical Property Profile of 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane
Property Insights of 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane
The XLogP value of 9.061 indicates that 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane?
The CAS number of 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane is 138797-39-4.
What is the molecular formula of 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane?
The molecular formula of 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane is C38H80ClNO2.
What is the molecular weight of 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane?
The molecular weight of 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane is 617.59 g/mol.
Where can I buy 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane?
You can request a quote for 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(hexadecyloxy)-3-trimethylaminopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.