Phosphatidylcholine
TL;DR: Phosphatidylcholine (CAS 40811-94-7) is a chemical compound with molecular formula C42H81NO8P+ and molecular weight 758.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Also Known As: Phosphatidylcholine, LECITHIN, 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine, 1-Palmitoyl-2-linoleoyl-glycero-3-phosphocholine, BRD-A10131665-001-02-0
| Molecular Formula | C42H81NO8P+ |
|---|---|
| Molecular Weight | 758.57 g/mol |
| LogP | 13.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 758.57 |
| Heavy Atoms | 52 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 40811-94-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| InChIKey | JLPULHDHAOZNQI-ZTIMHPMXSA-O |
Product Overview
Phosphatidylcholine (CAS 40811-94-7), with molecular formula C42H81NO8P+ and molecular weight 758.57 g/mol. IUPAC: 2-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium.
Chemical Property Profile of Phosphatidylcholine
Property Insights of Phosphatidylcholine
The XLogP value of 13.0 indicates that Phosphatidylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphatidylcholine. Following Lipinski's Rule of Five, Phosphatidylcholine has 1 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 Phosphatidylcholine?
The CAS number of Phosphatidylcholine is 40811-94-7.
What is the molecular formula of Phosphatidylcholine?
The molecular formula of Phosphatidylcholine is C42H81NO8P+.
What is the molecular weight of Phosphatidylcholine?
The molecular weight of Phosphatidylcholine is 758.57 g/mol.
Where can I buy Phosphatidylcholine?
You can request a quote for Phosphatidylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphatidylcholine?
Yes, KEHONG BIO provides custom synthesis services for Phosphatidylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.