![N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine structure](/static/products/131/131918-97-3.png)
N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine
TL;DR: N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine (CAS 131918-97-3) is a chemical compound with molecular formula C14H18N2O3S2 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid
Also Known As: N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine, Phenethyl isothiocyanate N-acetyl-L-cysteine conjugate, (2R)-2-acetamido-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid, J1.703.852D, S-(Phenethylthiocarbamoyl)-N-acetyl-L-cysteine
| Molecular Formula | C14H18N2O3S2 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 1.4261 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.0759 |
| Heavy Atoms | 21 |
| Complexity | 494.2523 |
Chemical Identifiers
| CAS Number | 131918-97-3 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC(=S)NCCC1=CC=CC=C1)C(=O)O |
Product Overview
N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine (CAS 131918-97-3), with molecular formula C14H18N2O3S2 and molecular weight 326.08 g/mol. IUPAC: (2R)-2-acetamido-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid.
Chemical Property Profile of N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine
Property Insights of N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine
The XLogP value of 1.4261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine. Following Lipinski's Rule of Five, N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine has 3 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 N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine?
The CAS number of N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine is 131918-97-3.
What is the molecular formula of N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine?
The molecular formula of N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine is C14H18N2O3S2.
What is the molecular weight of N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine?
The molecular weight of N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine is 326.08 g/mol.
Where can I buy N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine?
You can request a quote for N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.