rac-3-Octadecylthio-2-methoxypropyl phosphocholine
TL;DR: rac-3-Octadecylthio-2-methoxypropyl phosphocholine (CAS 103304-65-0) is a chemical compound with molecular formula C27H58NO5PS and molecular weight 539.3773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methoxy-3-octadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Phospholipid analog, rac-3-Octadecylthio-2-methoxypropyl phosphocholine, 1-S-hexadecyl-2-O-ethyl-rac-thioglycero-3-phosphocholine, 1-S-octadecyl-2-O-methyl-rac-thioglycero-3-phosphocholine, 3,5-Dioxa-9-thia-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, (1)-
Technical Specifications
| Molecular Formula | C27H58NO5PS |
| Molecular Weight | 539.3773 g/mol |
| XLogP | 8.4 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Exact Mass | 539.3773 Da |
| Heavy Atoms | 35 |
| Complexity | 496.0 |
| SMILES | CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)OC |
| InChIKey | MRBWTOADIJUJQN-UHFFFAOYSA-N |
Chemical Property Profile of rac-3-Octadecylthio-2-methoxypropyl phosphocholine
Property Insights of rac-3-Octadecylthio-2-methoxypropyl phosphocholine
The XLogP value of 8.4 indicates that rac-3-Octadecylthio-2-methoxypropyl phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for rac-3-Octadecylthio-2-methoxypropyl phosphocholine. Following Lipinski's Rule of Five, rac-3-Octadecylthio-2-methoxypropyl phosphocholine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of rac-3-Octadecylthio-2-methoxypropyl phosphocholine?
The CAS number of rac-3-Octadecylthio-2-methoxypropyl phosphocholine is 103304-65-0.
What is the molecular formula of rac-3-Octadecylthio-2-methoxypropyl phosphocholine?
The molecular formula of rac-3-Octadecylthio-2-methoxypropyl phosphocholine is C27H58NO5PS.
What is the molecular weight of rac-3-Octadecylthio-2-methoxypropyl phosphocholine?
The molecular weight of rac-3-Octadecylthio-2-methoxypropyl phosphocholine is 539.3773 g/mol.
Where can I buy rac-3-Octadecylthio-2-methoxypropyl phosphocholine?
You can request a quote for rac-3-Octadecylthio-2-methoxypropyl phosphocholine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for rac-3-Octadecylthio-2-methoxypropyl phosphocholine?
Yes, CoreyChem provides custom synthesis services for rac-3-Octadecylthio-2-methoxypropyl phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.