S-(1-carboxyethyl)cysteine
TL;DR: S-(1-carboxyethyl)cysteine (CAS 104640-54-2) 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.
(2R)-2-amino-3-(1-carboxyethylsulfanyl)propanoic acid
Also Known As: S-(1-Carboxyethyl)cysteine, 1-CE-Cys, S-(1-Carboxyethyl)-L-cys, S-(1-carboxyethyl)-L-cysteine, S-(P-Carboxyethyl)-L-cystein
| Molecular Formula | C6H11NO4S |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.04088 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 104640-54-2 |
|---|---|
| SMILES | CC(C(=O)O)SC[C@@H](C(=O)O)N |
| InChIKey | XKJVJNYVDMIBRQ-BKLSDQPFSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(1-carboxyethyl)cysteine (CAS 104640-54-2), with molecular formula C6H11NO4S and molecular weight 193.04 g/mol. IUPAC: (2R)-2-amino-3-(1-carboxyethylsulfanyl)propanoic acid.
Chemical Property Profile of S-(1-carboxyethyl)cysteine
Property Insights of S-(1-carboxyethyl)cysteine
The XLogP value of -2.7 indicates that S-(1-carboxyethyl)cysteine 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 S-(1-carboxyethyl)cysteine. Following Lipinski's Rule of Five, S-(1-carboxyethyl)cysteine 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 S-(1-carboxyethyl)cysteine?
The CAS number of S-(1-carboxyethyl)cysteine is 104640-54-2.
What is the molecular formula of S-(1-carboxyethyl)cysteine?
The molecular formula of S-(1-carboxyethyl)cysteine is C6H11NO4S.
What is the molecular weight of S-(1-carboxyethyl)cysteine?
The molecular weight of S-(1-carboxyethyl)cysteine is 193.04 g/mol.
Where can I buy S-(1-carboxyethyl)cysteine?
You can request a quote for S-(1-carboxyethyl)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(1-carboxyethyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(1-carboxyethyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.