1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine
TL;DR: 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine (CAS 86013-84-5) is a chemical compound with molecular formula C41H69F3N3O9P and molecular weight 835.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hexadecanoyloxy-2-[7-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethoxy]heptanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine
| Molecular Formula | C41H69F3N3O9P |
|---|---|
| Molecular Weight | 835.47 g/mol |
| LogP | 9.5212 |
| Topological Polar Surface Area | 145.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 35 |
| Exact Mass | 835.47235 |
| Heavy Atoms | 57 |
| Complexity | 1337.2957 |
Chemical Identifiers
| CAS Number | 86013-84-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCOCCC1=CC=C(C=C1)C2(N=N2)C(F)(F)F |
Product Overview
1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine (CAS 86013-84-5), with molecular formula C41H69F3N3O9P and molecular weight 835.47 g/mol. IUPAC: [3-hexadecanoyloxy-2-[7-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethoxy]heptanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine
Property Insights of 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine
The XLogP value of 9.5212 indicates that 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.14 Ų indicates high polarity, suggesting 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine?
The CAS number of 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine is 86013-84-5.
What is the molecular formula of 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine?
The molecular formula of 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine is C41H69F3N3O9P.
What is the molecular weight of 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine?
The molecular weight of 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine is 835.47 g/mol.
Where can I buy 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine?
You can request a quote for 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-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-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for 1-Palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.