3-(tert-Butyldithio)-L-alanine
TL;DR: 3-(tert-Butyldithio)-L-alanine (CAS 313223-16-4) is a chemical compound with molecular formula C7H15NO2S2 and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(tert-butyldisulfanyl)propanoic acid
Also Known As: H-CYS(STBU)-OH, S-(tert-Butylthio)-L-cysteine, s-tert-Butylmercapto-L-cysteine, 3-(tert-Butyldithio)-L-alanine, (S)-2-amino-3-(tert-butyldisulfanyl)propanoic acid
| Molecular Formula | C7H15NO2S2 |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.05443 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 313223-16-4 |
|---|---|
| SMILES | CC(C)(C)SSC[C@H](C(=O)O)N |
| InChIKey | TWMBHZTWEDJDRC-RXMQYKEDSA-N |
Product Overview
3-(tert-Butyldithio)-L-alanine (CAS 313223-16-4), with molecular formula C7H15NO2S2 and molecular weight 209.05 g/mol. IUPAC: (2S)-2-amino-3-(tert-butyldisulfanyl)propanoic acid.
Chemical Property Profile of 3-(tert-Butyldithio)-L-alanine
Property Insights of 3-(tert-Butyldithio)-L-alanine
The XLogP value of -1.7 indicates that 3-(tert-Butyldithio)-L-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-(tert-Butyldithio)-L-alanine. Following Lipinski's Rule of Five, 3-(tert-Butyldithio)-L-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-(tert-Butyldithio)-L-alanine?
The CAS number of 3-(tert-Butyldithio)-L-alanine is 313223-16-4.
What is the molecular formula of 3-(tert-Butyldithio)-L-alanine?
The molecular formula of 3-(tert-Butyldithio)-L-alanine is C7H15NO2S2.
What is the molecular weight of 3-(tert-Butyldithio)-L-alanine?
The molecular weight of 3-(tert-Butyldithio)-L-alanine is 209.05 g/mol.
Where can I buy 3-(tert-Butyldithio)-L-alanine?
You can request a quote for 3-(tert-Butyldithio)-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-(tert-Butyldithio)-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-Butyldithio)-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.