3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine
TL;DR: 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine (CAS 33099-32-0) is a chemical compound with molecular formula C6H11NO5S2 and molecular weight 241.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-[(2-carboxy-2-hydroxyethyl)disulfanyl]propanoic acid
Also Known As: HCETC, 3-Mercaptolactate-cysteine disulfide, beta-Mercaptolactate cysteine disulfide, S-(2-Hydroxy-2-carboxyethylthio)cysteine, 3-mercaptolactic acid-cysteine disulfide
| Molecular Formula | C6H11NO5S2 |
|---|---|
| Molecular Weight | 241.01 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 241.00786 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 33099-32-0 |
|---|---|
| SMILES | C([C@@H](C(=O)O)N)SSCC(C(=O)O)O |
| InChIKey | MAFDYIDMXCXBRB-WUCPZUCCSA-N |
Product Overview
3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine (CAS 33099-32-0), with molecular formula C6H11NO5S2 and molecular weight 241.01 g/mol. IUPAC: (2R)-2-amino-3-[(2-carboxy-2-hydroxyethyl)disulfanyl]propanoic acid.
Chemical Property Profile of 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine
Property Insights of 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine
The XLogP value of -3.7 indicates that 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine has 4 hydrogen bond donor(s) and 8 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 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine?
The CAS number of 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine is 33099-32-0.
What is the molecular formula of 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine?
The molecular formula of 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine is C6H11NO5S2.
What is the molecular weight of 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine?
The molecular weight of 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine is 241.01 g/mol.
Where can I buy 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine?
You can request a quote for 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Carboxy-2-hydroxyethyl)dithio)-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.