N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine
TL;DR: N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine (CAS 36685-66-2) is a chemical compound with molecular formula C14H17NO5S and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-acetamido-2-carboxyethyl)sulfanyl-3-phenylpropanoic acid
Also Known As: NAPCC, N-Acetyl-S-(1-phenyl-2-carboxyethyl)cysteine, n-acetyl-s-(2-carboxy-1-phenylethyl)cysteine, S-(2-Carboxy-1-phenylethyl)-N-(1-hydroxyethylidene)cysteine, Benzenepropanoic acid, beta-((2-(acetylamino)-2-carboxyethyl)thio)-
| Molecular Formula | C14H17NO5S |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.08273 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 36685-66-2 |
|---|---|
| SMILES | CC(=O)NC(CSC(CC(=O)O)C1=CC=CC=C1)C(=O)O |
| InChIKey | LTPURIOKVISJDF-UHFFFAOYSA-N |
Product Overview
N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine (CAS 36685-66-2), with molecular formula C14H17NO5S and molecular weight 311.08 g/mol. IUPAC: 3-(2-acetamido-2-carboxyethyl)sulfanyl-3-phenylpropanoic acid.
Chemical Property Profile of N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine
Property Insights of N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine. Following Lipinski's Rule of Five, N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine has 3 hydrogen bond donor(s) and 6 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-(1-phenyl-2-carboxyethyl)cysteine?
The CAS number of N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine is 36685-66-2.
What is the molecular formula of N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine?
The molecular formula of N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine is C14H17NO5S.
What is the molecular weight of N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine?
The molecular weight of N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine is 311.08 g/mol.
Where can I buy N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine?
You can request a quote for N-acetyl-S-(1-phenyl-2-carboxyethyl)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-(1-phenyl-2-carboxyethyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-S-(1-phenyl-2-carboxyethyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.