1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine)
TL;DR: 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) (CAS 115868-91-2) is a chemical compound with molecular formula C80H158N2O16P2S2 and molecular weight 1529.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-hexadecanoyloxy-3-[16-[[16-[(2R)-2-hexadecanoyloxy-3-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxypropoxy]-16-oxohexadecyl]disulfanyl]hexadecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Dttc-bis-hdgpc, 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine), (3-ethoxycarbonylphenyl)-trimethylazanium,chloride, ethyl 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carboxylate, (9R,48R)-9,48-Bis(hexadecanoyloxy)-2,2-dimethyl-6-oxido-6,12,45-trioxo-5,7,11,46-tetraoxa-28,29-dithia-2-azonia-6lambda~5~-phosphanonatetracontan-49-yl 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C80H158N2O16P2S2 |
|---|---|
| Molecular Weight | 1529.05 g/mol |
| LogP | 25.6 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 85 |
| Exact Mass | 1529.0529 |
| Heavy Atoms | 102 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 115868-91-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChIKey | YQYRYXKVXWPXCP-UVHVAMGRSA-N |
Product Overview
1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) (CAS 115868-91-2), with molecular formula C80H158N2O16P2S2 and molecular weight 1529.05 g/mol. IUPAC: [(2R)-2-hexadecanoyloxy-3-[16-[[16-[(2R)-2-hexadecanoyloxy-3-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxypropoxy]-16-oxohexadecyl]disulfanyl]hexadecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine)
Property Insights of 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine)
The XLogP value of 25.6 indicates that 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.0 Ų indicates high polarity, suggesting 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine)?
The CAS number of 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) is 115868-91-2.
What is the molecular formula of 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine)?
The molecular formula of 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) is C80H158N2O16P2S2.
What is the molecular weight of 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine)?
The molecular weight of 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) is 1529.05 g/mol.
Where can I buy 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine)?
You can request a quote for 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine)?
Yes, KEHONG BIO provides custom synthesis services for 1-(17,18-Dithiatetratriacontandioyl)-bis(2-hexadecanoylglycero-3-phosphocholine) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.