2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid
TL;DR: 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid (CAS 5448-94-2) is a chemical compound with molecular formula C7H14N2O4S2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(2-amino-2-carboxyethyl)disulfanyl]butanoic acid
Also Known As: Homocysteine-cysteine Disulfide, Cys-homo-cys-mixed disulfide, Cysteinylhomocysteine mixed disulfide, Homocysteine-cysteine mixed disulfide, Cysteine-homocysteine mixed disulfide
| Molecular Formula | C7H14N2O4S2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 254.0395 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 5448-94-2 |
|---|---|
| SMILES | C(CSSCC(C(=O)O)N)C(C(=O)O)N |
| InChIKey | YPWSLBHSMIKTPR-UHFFFAOYSA-N |
Product Overview
2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid (CAS 5448-94-2), with molecular formula C7H14N2O4S2 and molecular weight 254.04 g/mol. IUPAC: 2-amino-4-[(2-amino-2-carboxyethyl)disulfanyl]butanoic acid.
Chemical Property Profile of 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid
Property Insights of 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid
The XLogP value of -5.9 indicates that 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid 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 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid?
The CAS number of 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid is 5448-94-2.
What is the molecular formula of 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid?
The molecular formula of 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid is C7H14N2O4S2.
What is the molecular weight of 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid?
The molecular weight of 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid is 254.04 g/mol.
Where can I buy 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid?
You can request a quote for 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-((2-amino-2-carboxyethyl)dithio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.