1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine
TL;DR: 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine (CAS 88555-56-0) is a chemical compound with molecular formula C60H96NO8P and molecular weight 989.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-2-pyren-1-yloxy-3-triacontanoyloxynonyl) 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: C(30)Phpc, 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine, 3,5,9-Trioxa-4-phosphanonatriacontan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-6-(1-pyrenyl)hexyl)oxy)-, hydroxide, inner salt, 4-oxide, 3,5,9-Trioxa-4-phosphanonatriacontan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[1-oxo-6-(1-pyrenyl)hexyl]oxy]-, innersalt, 4-oxide, (4-oxo-2-pyren-1-yloxy-3-triacontanoyloxynonyl) 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C60H96NO8P |
|---|---|
| Molecular Weight | 989.69 g/mol |
| LogP | 20.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 45 |
| Exact Mass | 989.6874 |
| Heavy Atoms | 70 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 88555-56-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C(COP(=O)([O-])OCC[N+](C)(C)C)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)CCCCC |
| InChIKey | IMENVZXFEUSSEB-UHFFFAOYSA-N |
Product Overview
1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine (CAS 88555-56-0), with molecular formula C60H96NO8P and molecular weight 989.69 g/mol. IUPAC: (4-oxo-2-pyren-1-yloxy-3-triacontanoyloxynonyl) 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine
Property Insights of 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine
The XLogP value of 20.3 indicates that 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine. Following Lipinski's Rule of Five, 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-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-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine?
The CAS number of 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine is 88555-56-0.
What is the molecular formula of 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine?
The molecular formula of 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine is C60H96NO8P.
What is the molecular weight of 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine?
The molecular weight of 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine is 989.69 g/mol.
Where can I buy 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine?
You can request a quote for 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-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-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for 1-Triacontanoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.