N-Acetyl-S-benzylcysteine
TL;DR: N-Acetyl-S-benzylcysteine (CAS 36867-19-3) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-benzylsulfanylpropanoic acid
Also Known As: N-Acetyl-S-benzyl-DL-cysteine, DL-Benzylmercapturic Acid, 2-Acetamido-3-(benzylthio)propanoic acid, N-Acetyl-S-benzyl-L-cysteine, n-acetyl-s-benzylcysteine
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 36867-19-3 |
|---|---|
| SMILES | CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O |
| InChIKey | BJUXDERNWYKSIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetyl-S-benzylcysteine (CAS 36867-19-3), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 2-acetamido-3-benzylsulfanylpropanoic acid.
Chemical Property Profile of N-Acetyl-S-benzylcysteine
Property Insights of N-Acetyl-S-benzylcysteine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-benzylcysteine. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-benzylcysteine. Following Lipinski's Rule of Five, N-Acetyl-S-benzylcysteine 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 N-Acetyl-S-benzylcysteine?
The CAS number of N-Acetyl-S-benzylcysteine is 36867-19-3.
What is the molecular formula of N-Acetyl-S-benzylcysteine?
The molecular formula of N-Acetyl-S-benzylcysteine is C12H15NO3S.
What is the molecular weight of N-Acetyl-S-benzylcysteine?
The molecular weight of N-Acetyl-S-benzylcysteine is 253.08 g/mol.
Where can I buy N-Acetyl-S-benzylcysteine?
You can request a quote for N-Acetyl-S-benzylcysteine 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-benzylcysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-S-benzylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.