S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine
TL;DR: S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine (CAS 7563-77-1) is a chemical compound with molecular formula C10H20N2O4S2 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[2-(3-amino-3-carboxypropyl)sulfanylethylsulfanyl]butanoic acid
Also Known As: S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine, 2-amino-4-[2-(3-amino-3-carboxypropyl)sulfanylethylsulfanyl], 4,4'-(ethane-1,2-diyldisulfanediyl)bis(2-aminobutanoic acid)(non-preferred name), 2-amino-4-[2-(3-amino-3-carboxy-propyl)sulfanylethylsulfanyl]butanoic acid, 2-amino-4-[2-(3-amino-4-hydroxy-4-oxo-butyl)sulfanylethylsulfanyl]butanoic acid
| Molecular Formula | C10H20N2O4S2 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | -4.9 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 296.08646 |
| Heavy Atoms | 18 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 7563-77-1 |
|---|---|
| SMILES | C(CSCCSCCC(C(=O)O)N)C(C(=O)O)N |
| InChIKey | IONUJTAFZALWBL-UHFFFAOYSA-N |
Product Overview
S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine (CAS 7563-77-1), with molecular formula C10H20N2O4S2 and molecular weight 296.09 g/mol. IUPAC: 2-amino-4-[2-(3-amino-3-carboxypropyl)sulfanylethylsulfanyl]butanoic acid.
Chemical Property Profile of S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine
Property Insights of S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine
The XLogP value of -4.9 indicates that S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine 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 S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine?
The CAS number of S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine is 7563-77-1.
What is the molecular formula of S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine?
The molecular formula of S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine is C10H20N2O4S2.
What is the molecular weight of S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine?
The molecular weight of S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine is 296.09 g/mol.
Where can I buy S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine?
You can request a quote for S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(2-((3-Amino-3-carboxypropyl)thio)ethyl)homocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.