1-Pyrenebutyrylcarnitine
TL;DR: 1-Pyrenebutyrylcarnitine (CAS 86563-95-3) is a chemical compound with molecular formula C27H29NO4 and molecular weight 431.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-pyren-1-ylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
Also Known As: 1-Pyrenebutyrylcarnitine, (1-Pyrenebutyryl)carnitine, 3-(4-pyren-1-ylbutanoyloxy)-4-(trimethylazaniumyl)butanoate, 3-{[4-(pyren-1-yl)butanoyl]oxy}-4-(trimethylammonio)butanoate, 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxo-4-(1-pyrenyl)butoxy)-, hydroxide, inner salt
| Molecular Formula | C27H29NO4 |
|---|---|
| Molecular Weight | 431.21 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 431.20966 |
| Heavy Atoms | 32 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 86563-95-3 |
|---|---|
| SMILES | C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | XLZUNRCLJXKEIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pyrenebutyrylcarnitine (CAS 86563-95-3), with molecular formula C27H29NO4 and molecular weight 431.21 g/mol. IUPAC: 3-(4-pyren-1-ylbutanoyloxy)-4-(trimethylazaniumyl)butanoate.
Chemical Property Profile of 1-Pyrenebutyrylcarnitine
Property Insights of 1-Pyrenebutyrylcarnitine
The XLogP value of 5.7 indicates that 1-Pyrenebutyrylcarnitine 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 1-Pyrenebutyrylcarnitine. Following Lipinski's Rule of Five, 1-Pyrenebutyrylcarnitine 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 1-Pyrenebutyrylcarnitine?
The CAS number of 1-Pyrenebutyrylcarnitine is 86563-95-3.
What is the molecular formula of 1-Pyrenebutyrylcarnitine?
The molecular formula of 1-Pyrenebutyrylcarnitine is C27H29NO4.
What is the molecular weight of 1-Pyrenebutyrylcarnitine?
The molecular weight of 1-Pyrenebutyrylcarnitine is 431.21 g/mol.
Where can I buy 1-Pyrenebutyrylcarnitine?
You can request a quote for 1-Pyrenebutyrylcarnitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrenebutyrylcarnitine?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrenebutyrylcarnitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.