3-(Ethyldisulfanyl)alanine
TL;DR: 3-(Ethyldisulfanyl)alanine (CAS 178980-72-8) is a chemical compound with molecular formula C5H11NO2S2 and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(ethyldisulfanyl)propanoic acid
Also Known As: 3-(ethyldisulfanyl)alanine, 2-amino-3-ethyldisulfanyl-propanoic acid, 2-amino-3-(ethyldisulfanyl)propanoic acid
| Molecular Formula | C5H11NO2S2 |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.02312 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 178980-72-8 |
|---|---|
| SMILES | CCSSCC(C(=O)O)N |
| InChIKey | YIMFYOCZTDBZJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Ethyldisulfanyl)alanine (CAS 178980-72-8), with molecular formula C5H11NO2S2 and molecular weight 181.02 g/mol. IUPAC: 2-amino-3-(ethyldisulfanyl)propanoic acid.
Chemical Property Profile of 3-(Ethyldisulfanyl)alanine
Property Insights of 3-(Ethyldisulfanyl)alanine
The XLogP value of -2.3 indicates that 3-(Ethyldisulfanyl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Ethyldisulfanyl)alanine. Following Lipinski's Rule of Five, 3-(Ethyldisulfanyl)alanine has 2 hydrogen bond donor(s) and 5 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-(Ethyldisulfanyl)alanine?
The CAS number of 3-(Ethyldisulfanyl)alanine is 178980-72-8.
What is the molecular formula of 3-(Ethyldisulfanyl)alanine?
The molecular formula of 3-(Ethyldisulfanyl)alanine is C5H11NO2S2.
What is the molecular weight of 3-(Ethyldisulfanyl)alanine?
The molecular weight of 3-(Ethyldisulfanyl)alanine is 181.02 g/mol.
Where can I buy 3-(Ethyldisulfanyl)alanine?
You can request a quote for 3-(Ethyldisulfanyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Ethyldisulfanyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethyldisulfanyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.