Thialysine ketimine
TL;DR: Thialysine ketimine (CAS 78900-94-4) is a chemical compound with molecular formula C5H7NO2S and molecular weight 145.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dihydro-2H-1,4-thiazine-5-carboxylic acid
Also Known As: Thialysine ketimine, AECK, Aminoethylcysteine-ketimine, S-Aminoethyl-L-cysteine ketimine, 3,4-dehydrothiomorpholine-3-carboxylic acid
| Molecular Formula | C5H7NO2S |
|---|---|
| Molecular Weight | 145.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.01974 |
| Heavy Atoms | 9 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 78900-94-4 |
|---|---|
| SMILES | C1CSCC(=N1)C(=O)O |
| InChIKey | HRXJCQXGAHSUJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thialysine ketimine (CAS 78900-94-4), with molecular formula C5H7NO2S and molecular weight 145.02 g/mol. IUPAC: 3,6-dihydro-2H-1,4-thiazine-5-carboxylic acid.
Chemical Property Profile of Thialysine ketimine
Property Insights of Thialysine ketimine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thialysine ketimine. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thialysine ketimine. Following Lipinski's Rule of Five, Thialysine ketimine has 1 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 Thialysine ketimine?
The CAS number of Thialysine ketimine is 78900-94-4.
What is the molecular formula of Thialysine ketimine?
The molecular formula of Thialysine ketimine is C5H7NO2S.
What is the molecular weight of Thialysine ketimine?
The molecular weight of Thialysine ketimine is 145.02 g/mol.
Where can I buy Thialysine ketimine?
You can request a quote for Thialysine ketimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thialysine ketimine?
Yes, KEHONG BIO provides custom synthesis services for Thialysine ketimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.