Thiocarnitine
TL;DR: Thiocarnitine (CAS 76474-63-0) is a chemical compound with molecular formula C7H15NO2S and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanyl-4-(trimethylazaniumyl)butanoate
Also Known As: Thiocarnitine, 3-sulfanyl-4-(trimethylazaniumyl)butanoate, 3-sulfanyl-4-trimethylazaniumylbutanoate, 4-trimethyl-ammonio-3-mercaptobutanoate, 1-Propanaminium, 3-carboxy-2-mercapto-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-
| Molecular Formula | C7H15NO2S |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.08235 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 76474-63-0 |
|---|---|
| SMILES | C[N+](C)(C)CC(CC(=O)[O-])S |
| InChIKey | JCILLSVGMPGYMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocarnitine (CAS 76474-63-0), with molecular formula C7H15NO2S and molecular weight 177.08 g/mol. IUPAC: 3-sulfanyl-4-(trimethylazaniumyl)butanoate.
Chemical Property Profile of Thiocarnitine
Property Insights of Thiocarnitine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocarnitine. With a topological polar surface area (TPSA) of 41.1 Ų, Thiocarnitine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocarnitine has 1 hydrogen bond donor(s) and 3 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 Thiocarnitine?
The CAS number of Thiocarnitine is 76474-63-0.
What is the molecular formula of Thiocarnitine?
The molecular formula of Thiocarnitine is C7H15NO2S.
What is the molecular weight of Thiocarnitine?
The molecular weight of Thiocarnitine is 177.08 g/mol.
Where can I buy Thiocarnitine?
You can request a quote for Thiocarnitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocarnitine?
Yes, KEHONG BIO provides custom synthesis services for Thiocarnitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.