1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine
TL;DR: 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine (CAS 113881-60-0) is a chemical compound with molecular formula C40H80NO7PS and molecular weight 749.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-hexadecanoyloxy-2-hexadecanoylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Palmitoyl Thio-PC, 2-Thiopc, 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine, 3-ACETYL-2,5-DIBROMOTHIOPHENE, [(2R)-3-hexadecanoyloxy-2-hexadecanoylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C40H80NO7PS |
|---|---|
| Molecular Weight | 749.54 g/mol |
| LogP | 14.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 749.5393 |
| Heavy Atoms | 50 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 113881-60-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)CCCCCCCCCCCCCCC |
| InChIKey | CJNCGLSWHABGOT-KXQOOQHDSA-N |
Product Overview
1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine (CAS 113881-60-0), with molecular formula C40H80NO7PS and molecular weight 749.54 g/mol. IUPAC: [(2R)-3-hexadecanoyloxy-2-hexadecanoylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine
Property Insights of 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine
The XLogP value of 14.0 indicates that 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine. Following Lipinski's Rule of Five, 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine?
The CAS number of 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine is 113881-60-0.
What is the molecular formula of 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine?
The molecular formula of 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine is C40H80NO7PS.
What is the molecular weight of 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine?
The molecular weight of 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine is 749.54 g/mol.
Where can I buy 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine?
You can request a quote for 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine?
Yes, KEHONG BIO provides custom synthesis services for 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.