S-Trichlorovinyl-N-acetylcysteine
TL;DR: S-Trichlorovinyl-N-acetylcysteine (CAS 111348-61-9) is a chemical compound with molecular formula C7H8Cl3NO3S and molecular weight 290.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(1,2,2-trichloroethenylsulfanyl)propanoic acid
Also Known As: N-Acetyl-S-(trichlorovinyl)-L-cysteine, S-Trichlorovinyl-N-acetylcysteine, N-Ac-TCVC, TCVAC, starbld0019568
| Molecular Formula | C7H8Cl3NO3S |
|---|---|
| Molecular Weight | 290.93 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.92905 |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 111348-61-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)O |
| InChIKey | NBGLMNHGJFSOCH-BYPYZUCNSA-N |
Product Overview
S-Trichlorovinyl-N-acetylcysteine (CAS 111348-61-9), with molecular formula C7H8Cl3NO3S and molecular weight 290.93 g/mol. IUPAC: (2R)-2-acetamido-3-(1,2,2-trichloroethenylsulfanyl)propanoic acid.
Chemical Property Profile of S-Trichlorovinyl-N-acetylcysteine
Property Insights of S-Trichlorovinyl-N-acetylcysteine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Trichlorovinyl-N-acetylcysteine. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Trichlorovinyl-N-acetylcysteine. Following Lipinski's Rule of Five, S-Trichlorovinyl-N-acetylcysteine 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 S-Trichlorovinyl-N-acetylcysteine?
The CAS number of S-Trichlorovinyl-N-acetylcysteine is 111348-61-9.
What is the molecular formula of S-Trichlorovinyl-N-acetylcysteine?
The molecular formula of S-Trichlorovinyl-N-acetylcysteine is C7H8Cl3NO3S.
What is the molecular weight of S-Trichlorovinyl-N-acetylcysteine?
The molecular weight of S-Trichlorovinyl-N-acetylcysteine is 290.93 g/mol.
Where can I buy S-Trichlorovinyl-N-acetylcysteine?
You can request a quote for S-Trichlorovinyl-N-acetylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Trichlorovinyl-N-acetylcysteine?
Yes, KEHONG BIO provides custom synthesis services for S-Trichlorovinyl-N-acetylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.