S-Acetylthiocarnitine
TL;DR: S-Acetylthiocarnitine (CAS 76474-64-1) is a chemical compound with molecular formula C9H17NO3S and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate
Also Known As: S-Acetylthiocarnitine, 3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate, 3-acetylsulfanyl-4-trimethylazaniumylbutanoate, 3-(Acetylsulfanyl)-4-(trimethylazaniumyl)butanoate, 1-Propanaminium, 2-(acetylthio)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-
| Molecular Formula | C9H17NO3S |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.09291 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 76474-64-1 |
|---|---|
| SMILES | CC(=O)SC(CC(=O)[O-])C[N+](C)(C)C |
| InChIKey | IALPVLUNMRNJBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Acetylthiocarnitine (CAS 76474-64-1), with molecular formula C9H17NO3S and molecular weight 219.09 g/mol. IUPAC: 3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate.
Chemical Property Profile of S-Acetylthiocarnitine
Property Insights of S-Acetylthiocarnitine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Acetylthiocarnitine. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Acetylthiocarnitine. Following Lipinski's Rule of Five, S-Acetylthiocarnitine 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 S-Acetylthiocarnitine?
The CAS number of S-Acetylthiocarnitine is 76474-64-1.
What is the molecular formula of S-Acetylthiocarnitine?
The molecular formula of S-Acetylthiocarnitine is C9H17NO3S.
What is the molecular weight of S-Acetylthiocarnitine?
The molecular weight of S-Acetylthiocarnitine is 219.09 g/mol.
Where can I buy S-Acetylthiocarnitine?
You can request a quote for S-Acetylthiocarnitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Acetylthiocarnitine?
Yes, KEHONG BIO provides custom synthesis services for S-Acetylthiocarnitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.