![3-[(2,2-Dichlorovinyl)thio]-L-alanine structure](/static/products/6969/6969-05-7.webp)
3-[(2,2-Dichlorovinyl)thio]-L-alanine
TL;DR: 3-[(2,2-Dichlorovinyl)thio]-L-alanine (CAS 6969-05-7) is a chemical compound with molecular formula C5H7Cl2NO2S and molecular weight 214.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-(2,2-dichloroethenylsulfanyl)propanoic acid
Also Known As: 3-[(2,2-Dichlorovinyl)thio]-L-alanine, S-Dichlorovinyl-L-cysteine, S-(2,2-Dichlorovinyl)-L-cysteine, S-dichloro-vinyl-l-cysteine, s-(2,2-dichloroethenyl)-l-cysteine
| Molecular Formula | C5H7Cl2NO2S |
|---|---|
| Molecular Weight | 214.96 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.95746 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 6969-05-7 |
|---|---|
| SMILES | C([C@@H](C(=O)O)N)SC=C(Cl)Cl |
| InChIKey | HTUPGSGHOGPTAF-VKHMYHEASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(2,2-Dichlorovinyl)thio]-L-alanine (CAS 6969-05-7), with molecular formula C5H7Cl2NO2S and molecular weight 214.96 g/mol. IUPAC: (2R)-2-amino-3-(2,2-dichloroethenylsulfanyl)propanoic acid.
Chemical Property Profile of 3-[(2,2-Dichlorovinyl)thio]-L-alanine
Property Insights of 3-[(2,2-Dichlorovinyl)thio]-L-alanine
The XLogP value of -1.1 indicates that 3-[(2,2-Dichlorovinyl)thio]-L-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,2-Dichlorovinyl)thio]-L-alanine. Following Lipinski's Rule of Five, 3-[(2,2-Dichlorovinyl)thio]-L-alanine has 2 hydrogen bond donor(s) and 4 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-[(2,2-Dichlorovinyl)thio]-L-alanine?
The CAS number of 3-[(2,2-Dichlorovinyl)thio]-L-alanine is 6969-05-7.
What is the molecular formula of 3-[(2,2-Dichlorovinyl)thio]-L-alanine?
The molecular formula of 3-[(2,2-Dichlorovinyl)thio]-L-alanine is C5H7Cl2NO2S.
What is the molecular weight of 3-[(2,2-Dichlorovinyl)thio]-L-alanine?
The molecular weight of 3-[(2,2-Dichlorovinyl)thio]-L-alanine is 214.96 g/mol.
Where can I buy 3-[(2,2-Dichlorovinyl)thio]-L-alanine?
You can request a quote for 3-[(2,2-Dichlorovinyl)thio]-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-[(2,2-Dichlorovinyl)thio]-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,2-Dichlorovinyl)thio]-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.