Pivaloylcarnitine
TL;DR: Pivaloylcarnitine (CAS 5472-04-8) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethylpropanoyloxy)-4-(trimethylazaniumyl)butanoate
Also Known As: Pivaloylcarnitine, Pivaloyl carnitine, CAR(3:0(Me2)), SID:85083167, 3-[(2,2-dimethylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 5472-04-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
| InChIKey | YICAQFPUDACYGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pivaloylcarnitine (CAS 5472-04-8), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: 3-(2,2-dimethylpropanoyloxy)-4-(trimethylazaniumyl)butanoate.
Chemical Property Profile of Pivaloylcarnitine
Property Insights of Pivaloylcarnitine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivaloylcarnitine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pivaloylcarnitine. Following Lipinski's Rule of Five, Pivaloylcarnitine has 0 hydrogen bond donor(s) and 4 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 Pivaloylcarnitine?
The CAS number of Pivaloylcarnitine is 5472-04-8.
What is the molecular formula of Pivaloylcarnitine?
The molecular formula of Pivaloylcarnitine is C12H23NO4.
What is the molecular weight of Pivaloylcarnitine?
The molecular weight of Pivaloylcarnitine is 245.16 g/mol.
Where can I buy Pivaloylcarnitine?
You can request a quote for Pivaloylcarnitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivaloylcarnitine?
Yes, KEHONG BIO provides custom synthesis services for Pivaloylcarnitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.