1-Oleoyl-2-docosahexaenoyl phosphatidylcholine
TL;DR: 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine (CAS 99296-82-9) is a chemical compound with molecular formula C48H82NO8P and molecular weight 831.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-[(4E,7Z,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 1-Odhpc, 1-Oleoyl-2-dha-PC, 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine, 2-Docosahexaenoin-1-oleoyl 3-Phosphocholine, 1-Oleoyl-2-docosahexaenoylglycero-3-phosphorylcholine
| Molecular Formula | C48H82NO8P |
|---|---|
| Molecular Weight | 831.58 g/mol |
| LogP | 12.1646 |
| Topological Polar Surface Area | 111.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 39 |
| Exact Mass | 831.5778 |
| Heavy Atoms | 58 |
| Complexity | 1260.4877 |
Chemical Identifiers
| CAS Number | 99296-82-9 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C/C/C=C\C/C=C/C/C=C/C/C=C/C/C=C/CC |
Product Overview
1-Oleoyl-2-docosahexaenoyl phosphatidylcholine (CAS 99296-82-9), with molecular formula C48H82NO8P and molecular weight 831.58 g/mol. IUPAC: [(2R)-2-[(4E,7Z,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine
Property Insights of 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine
The XLogP value of 12.1646 indicates that 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine. Following Lipinski's Rule of Five, 1-Oleoyl-2-docosahexaenoyl 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-Oleoyl-2-docosahexaenoyl phosphatidylcholine?
The CAS number of 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine is 99296-82-9.
What is the molecular formula of 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine?
The molecular formula of 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine is C48H82NO8P.
What is the molecular weight of 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine?
The molecular weight of 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine is 831.58 g/mol.
Where can I buy 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine?
You can request a quote for 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine?
Yes, KEHONG BIO provides custom synthesis services for 1-Oleoyl-2-docosahexaenoyl phosphatidylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.