Pyrenedodecanoylcarnitine
TL;DR: Pyrenedodecanoylcarnitine (CAS 991-70-8) is a chemical compound with molecular formula C35H45NO4 and molecular weight 543.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(12-pyren-1-yldodecanoyloxy)-4-(trimethylazaniumyl)butanoate
Also Known As: PDDC, Pyrenedodecanoylcarnitine, 3-(12-pyren-1-yldodecanoyloxy)-4-(trimethylazaniumyl)butanoate, 3-{[12-(pyren-1-yl)dodecanoyl]oxy}-4-(trimethylammonio)butanoate, 3-{[12-(Pyren-1-yl)dodecanoyl]oxy}-4-(trimethylazaniumyl)butanoate
| Molecular Formula | C35H45NO4 |
|---|---|
| Molecular Weight | 543.33 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 543.33484 |
| Heavy Atoms | 40 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 991-70-8 |
|---|---|
| SMILES | C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | JJJCYCXYQQLLIM-UHFFFAOYSA-N |
Product Overview
Pyrenedodecanoylcarnitine (CAS 991-70-8), with molecular formula C35H45NO4 and molecular weight 543.33 g/mol. IUPAC: 3-(12-pyren-1-yldodecanoyloxy)-4-(trimethylazaniumyl)butanoate.
Chemical Property Profile of Pyrenedodecanoylcarnitine
Property Insights of Pyrenedodecanoylcarnitine
The XLogP value of 10.1 indicates that Pyrenedodecanoylcarnitine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrenedodecanoylcarnitine. Following Lipinski's Rule of Five, Pyrenedodecanoylcarnitine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrenedodecanoylcarnitine?
The CAS number of Pyrenedodecanoylcarnitine is 991-70-8.
What is the molecular formula of Pyrenedodecanoylcarnitine?
The molecular formula of Pyrenedodecanoylcarnitine is C35H45NO4.
What is the molecular weight of Pyrenedodecanoylcarnitine?
The molecular weight of Pyrenedodecanoylcarnitine is 543.33 g/mol.
Where can I buy Pyrenedodecanoylcarnitine?
You can request a quote for Pyrenedodecanoylcarnitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrenedodecanoylcarnitine?
Yes, KEHONG BIO provides custom synthesis services for Pyrenedodecanoylcarnitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.