N,S-Diacetylcysteinamide
TL;DR: N,S-Diacetylcysteinamide (CAS 36914-44-0) is a chemical compound with molecular formula C7H12N2O3S and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[(2S)-2-acetamido-3-amino-3-oxopropyl] ethanethioate
Also Known As: N,S-Diacetylcysteinamide, O-[(2S)-2-acetamido-3-amino-3-oxopropyl] ethanethioate, Ethanethioic acid, S-(2-(acetylamino)-3-amino-3-oxopropyl) ester, Thioacetic acid S-(2-acetylamino-2-carbamoyl-ethyl) ester, 3-(Ethanethioyloxy)-2-[(1-hydroxyethylidene)amino]propanimidic acid
| Molecular Formula | C7H12N2O3S |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.05687 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 36914-44-0 |
|---|---|
| SMILES | CC(=O)N[C@@H](COC(=S)C)C(=O)N |
| InChIKey | BQICYXXJILPEEV-LURJTMIESA-N |
Product Overview
N,S-Diacetylcysteinamide (CAS 36914-44-0), with molecular formula C7H12N2O3S and molecular weight 204.06 g/mol. IUPAC: O-[(2S)-2-acetamido-3-amino-3-oxopropyl] ethanethioate.
Chemical Property Profile of N,S-Diacetylcysteinamide
Property Insights of N,S-Diacetylcysteinamide
The XLogP value of -0.1 indicates that N,S-Diacetylcysteinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,S-Diacetylcysteinamide. Following Lipinski's Rule of Five, N,S-Diacetylcysteinamide 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,S-Diacetylcysteinamide?
The CAS number of N,S-Diacetylcysteinamide is 36914-44-0.
What is the molecular formula of N,S-Diacetylcysteinamide?
The molecular formula of N,S-Diacetylcysteinamide is C7H12N2O3S.
What is the molecular weight of N,S-Diacetylcysteinamide?
The molecular weight of N,S-Diacetylcysteinamide is 204.06 g/mol.
Where can I buy N,S-Diacetylcysteinamide?
You can request a quote for N,S-Diacetylcysteinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,S-Diacetylcysteinamide?
Yes, KEHONG BIO provides custom synthesis services for N,S-Diacetylcysteinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.