N-Acetyl-S-allylcysteine
TL;DR: N-Acetyl-S-allylcysteine (CAS 23127-41-5) is a chemical compound with molecular formula C8H13NO3S and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid
Also Known As: N-Acetyl-S-allyl-L-cysteine, N-Acetyl-S-allylcysteine, S-Allylmercapturic Acid, Allylmercapturic Acid, starbld0019571
| Molecular Formula | C8H13NO3S |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.06161 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 23127-41-5 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSCC=C)C(=O)O |
| InChIKey | LKRAEHUDIUJBSF-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetyl-S-allylcysteine (CAS 23127-41-5), with molecular formula C8H13NO3S and molecular weight 203.06 g/mol. IUPAC: (2R)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid.
Chemical Property Profile of N-Acetyl-S-allylcysteine
Property Insights of N-Acetyl-S-allylcysteine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-allylcysteine. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-allylcysteine. Following Lipinski's Rule of Five, N-Acetyl-S-allylcysteine 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-allylcysteine?
The CAS number of N-Acetyl-S-allylcysteine is 23127-41-5.
What is the molecular formula of N-Acetyl-S-allylcysteine?
The molecular formula of N-Acetyl-S-allylcysteine is C8H13NO3S.
What is the molecular weight of N-Acetyl-S-allylcysteine?
The molecular weight of N-Acetyl-S-allylcysteine is 203.06 g/mol.
Where can I buy N-Acetyl-S-allylcysteine?
You can request a quote for N-Acetyl-S-allylcysteine 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-allylcysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-S-allylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.