s-Benzyl-n-acetylcysteine
TL;DR: s-Benzyl-n-acetylcysteine (CAS 77549-14-5) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-benzylsulfanylpropanoate
Also Known As: s-benzyl-n-acetylcysteine, @ m150_Russ_11-21-12, N-Acetyl-S-benzyl-L-cysteine methyl ester, methyl 2-acetamido-3-benzylsulfanylpropanoate, (2R)-2-acetamido-3-(phenylmethylthio)propanoic acid methyl ester
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 77549-14-5 |
|---|---|
| SMILES | CC(=O)NC(CSCC1=CC=CC=C1)C(=O)OC |
| InChIKey | NELLUUAGFXJBKY-UHFFFAOYSA-N |
Product Overview
s-Benzyl-n-acetylcysteine (CAS 77549-14-5), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: methyl 2-acetamido-3-benzylsulfanylpropanoate.
Chemical Property Profile of s-Benzyl-n-acetylcysteine
Property Insights of s-Benzyl-n-acetylcysteine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Benzyl-n-acetylcysteine. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Benzyl-n-acetylcysteine. Following Lipinski's Rule of Five, s-Benzyl-n-acetylcysteine has 1 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-Benzyl-n-acetylcysteine?
The CAS number of s-Benzyl-n-acetylcysteine is 77549-14-5.
What is the molecular formula of s-Benzyl-n-acetylcysteine?
The molecular formula of s-Benzyl-n-acetylcysteine is C13H17NO3S.
What is the molecular weight of s-Benzyl-n-acetylcysteine?
The molecular weight of s-Benzyl-n-acetylcysteine is 267.09 g/mol.
Where can I buy s-Benzyl-n-acetylcysteine?
You can request a quote for s-Benzyl-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-Benzyl-n-acetylcysteine?
Yes, KEHONG BIO provides custom synthesis services for s-Benzyl-n-acetylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.