1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine
TL;DR: 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine (CAS 118024-91-2) is a chemical compound with molecular formula C62H108NO8P and molecular weight 1025.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2,3-di(heptacosa-11,13-diynoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine, [(2R)-2,3-di(heptacosa-11,13-diynoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate, N-tert-butyl-1-methyl-5-oxabicyclo[4.1.0]heptan-6-amine, 3,5,9-Trioxa-4-phosphahexatriaconta-20,22-diyn-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-11,13-heptacosadiynyl)oxy)-, hydroxide, inner salt, 4-oxide, (R)-, (2R)-2,3-Bis[(heptacosa-11,13-diynoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C62H108NO8P |
|---|---|
| Molecular Weight | 1025.78 g/mol |
| LogP | 16.0868 |
| Topological Polar Surface Area | 111.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 50 |
| Exact Mass | 1025.7812 |
| Heavy Atoms | 72 |
| Complexity | 1578.1714 |
Chemical Identifiers
| CAS Number | 118024-91-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCC#CC#CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC#CC#CCCCCCCCCCCCCC |
Product Overview
1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine (CAS 118024-91-2), with molecular formula C62H108NO8P and molecular weight 1025.78 g/mol. IUPAC: [(2R)-2,3-di(heptacosa-11,13-diynoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine
Property Insights of 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine
The XLogP value of 16.0868 indicates that 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine 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 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine. Following Lipinski's Rule of Five, 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine 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 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine?
The CAS number of 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine is 118024-91-2.
What is the molecular formula of 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine?
The molecular formula of 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine is C62H108NO8P.
What is the molecular weight of 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine?
The molecular weight of 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine is 1025.78 g/mol.
Where can I buy 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine?
You can request a quote for 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Di-(heptacosadiynoyl)-sn-glycero-3-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.