(2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid
TL;DR: (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid (CAS 102916-85-8) is a chemical compound with molecular formula C6H9Cl2NO2S and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid
Also Known As: DCVHC, S-(1,2-Dichlorovinyl)homocysteine, S-(1,2-Dichlorovinyl)-L-homocysteine, L-Homocysteine,S-(1,2-dichloroethenyl)-, (E)- (9CI), (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid
| Molecular Formula | C6H9Cl2NO2S |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.9731 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 102916-85-8 |
|---|---|
| SMILES | C(CSC(=CCl)Cl)[C@@H](C(=O)O)N |
| InChIKey | FLDHIRRXGKLJDM-BYPYZUCNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid (CAS 102916-85-8), with molecular formula C6H9Cl2NO2S and molecular weight 228.97 g/mol. IUPAC: (2S)-2-amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid.
Chemical Property Profile of (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid
Property Insights of (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid
The XLogP value of -0.3 indicates that (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid 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 (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid 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 (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid?
The CAS number of (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid is 102916-85-8.
What is the molecular formula of (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid?
The molecular formula of (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid is C6H9Cl2NO2S.
What is the molecular weight of (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid?
The molecular weight of (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid is 228.97 g/mol.
Where can I buy (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid?
You can request a quote for (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-Amino-4-(1,2-dichloroethenylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.