S-(2-Carboxy-1-methylethyl)-L-cysteine
TL;DR: S-(2-Carboxy-1-methylethyl)-L-cysteine (CAS 21861-11-0) is a chemical compound with molecular formula C7H13NO4S and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-2-carboxyethyl)sulfanylbutanoic acid
Also Known As: S-(2-carboxyisopropyl)cysteine, S-(2-CARBOXY-1-METHYLETHYL)-L-CYSTEINE, 3-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid, J2.376.394J, 3-[(2-Amino-2-carboxyethyl)thio]butanoic acid
| Molecular Formula | C7H13NO4S |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.05653 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 21861-11-0 |
|---|---|
| SMILES | CC(CC(=O)O)SCC(C(=O)O)N |
| InChIKey | QAGUPZKZTPZYRU-UHFFFAOYSA-N |
Product Overview
S-(2-Carboxy-1-methylethyl)-L-cysteine (CAS 21861-11-0), with molecular formula C7H13NO4S and molecular weight 207.06 g/mol. IUPAC: 3-(2-amino-2-carboxyethyl)sulfanylbutanoic acid.
Chemical Property Profile of S-(2-Carboxy-1-methylethyl)-L-cysteine
Property Insights of S-(2-Carboxy-1-methylethyl)-L-cysteine
The XLogP value of -2.8 indicates that S-(2-Carboxy-1-methylethyl)-L-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-(2-Carboxy-1-methylethyl)-L-cysteine. Following Lipinski's Rule of Five, S-(2-Carboxy-1-methylethyl)-L-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-(2-Carboxy-1-methylethyl)-L-cysteine?
The CAS number of S-(2-Carboxy-1-methylethyl)-L-cysteine is 21861-11-0.
What is the molecular formula of S-(2-Carboxy-1-methylethyl)-L-cysteine?
The molecular formula of S-(2-Carboxy-1-methylethyl)-L-cysteine is C7H13NO4S.
What is the molecular weight of S-(2-Carboxy-1-methylethyl)-L-cysteine?
The molecular weight of S-(2-Carboxy-1-methylethyl)-L-cysteine is 207.06 g/mol.
Where can I buy S-(2-Carboxy-1-methylethyl)-L-cysteine?
You can request a quote for S-(2-Carboxy-1-methylethyl)-L-cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Carboxy-1-methylethyl)-L-cysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Carboxy-1-methylethyl)-L-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.