Pyrenelecithin
TL;DR: Pyrenelecithin (CAS 68845-14-7) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydrogen sulfate;1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-yl)ethenyl]indol-1-ium
Also Known As: Pyrenelecithin, Pyrene-PC, PPDPC, 2-propan-2-yloxyethylbenzene, 3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-yl)ethenyl]-, sulfate (1:1)
| Molecular Formula | C22H24N2O4S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.14 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.1457 |
| Heavy Atoms | 29 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 68845-14-7 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C1C=CC3=[N+](C4=CC=CC=C4C3(C)C)C.OS(=O)(=O)[O-] |
| InChIKey | BDJFQERXSWMBCA-UHFFFAOYSA-M |
Product Overview
Pyrenelecithin (CAS 68845-14-7), with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol. IUPAC: hydrogen sulfate;1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-yl)ethenyl]indol-1-ium.
Chemical Property Profile of Pyrenelecithin
Property Insights of Pyrenelecithin
The XLogP value of 4.14 indicates that Pyrenelecithin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrenelecithin. Following Lipinski's Rule of Five, Pyrenelecithin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrenelecithin?
The CAS number of Pyrenelecithin is 68845-14-7.
What is the molecular formula of Pyrenelecithin?
The molecular formula of Pyrenelecithin is C22H24N2O4S.
What is the molecular weight of Pyrenelecithin?
The molecular weight of Pyrenelecithin is 412.15 g/mol.
Where can I buy Pyrenelecithin?
You can request a quote for Pyrenelecithin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrenelecithin?
Yes, KEHONG BIO provides custom synthesis services for Pyrenelecithin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.