Alanine, 3-((2-carboxyethyl)thio)-
TL;DR: Alanine, 3-((2-carboxyethyl)thio)- (CAS 4033-46-9) is a chemical compound with molecular formula C6H11NO4S and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(2-carboxyethylsulfanyl)propanoic acid
Also Known As: S-(2-Carboxyethyl)-L-cysteine, S-carboxyethylcysteine, pyridine sulfurtrioxide, S-(2-Carboxyethyl)cysteine, S-2-Carboxyethyl-L-cysteine
| Molecular Formula | C6H11NO4S |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 193.04088 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 4033-46-9 |
|---|---|
| SMILES | C(CSCC(C(=O)O)N)C(=O)O |
| InChIKey | FBPINGSGHKXIQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alanine, 3-((2-carboxyethyl)thio)- (CAS 4033-46-9), with molecular formula C6H11NO4S and molecular weight 193.04 g/mol. IUPAC: 2-amino-3-(2-carboxyethylsulfanyl)propanoic acid.
Chemical Property Profile of Alanine, 3-((2-carboxyethyl)thio)-
Property Insights of Alanine, 3-((2-carboxyethyl)thio)-
The XLogP value of -3.2 indicates that Alanine, 3-((2-carboxyethyl)thio)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 3-((2-carboxyethyl)thio)-. Following Lipinski's Rule of Five, Alanine, 3-((2-carboxyethyl)thio)- has 3 hydrogen bond donor(s) and 6 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 Alanine, 3-((2-carboxyethyl)thio)-?
The CAS number of Alanine, 3-((2-carboxyethyl)thio)- is 4033-46-9.
What is the molecular formula of Alanine, 3-((2-carboxyethyl)thio)-?
The molecular formula of Alanine, 3-((2-carboxyethyl)thio)- is C6H11NO4S.
What is the molecular weight of Alanine, 3-((2-carboxyethyl)thio)-?
The molecular weight of Alanine, 3-((2-carboxyethyl)thio)- is 193.04 g/mol.
Where can I buy Alanine, 3-((2-carboxyethyl)thio)-?
You can request a quote for Alanine, 3-((2-carboxyethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 3-((2-carboxyethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 3-((2-carboxyethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.