S-Nitroso-N-Acetylpenicillamine
TL;DR: S-Nitroso-N-Acetylpenicillamine (CAS 152971-80-7) is a chemical compound with molecular formula C7H12N2O4S and molecular weight 220.05177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid
Also Known As: snap, S-Nonap, S-Nitroso-N-acetylpenicillamine, D-SNAP, SNAP (NO donor)
Technical Specifications
| Molecular Formula | C7H12N2O4S |
| Molecular Weight | 220.05177 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.05177 Da |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
| SMILES | CC(=O)N[C@@H](C(=O)O)C(C)(C)SN=O |
| InChIKey | ZIIQCSMRQKCOCT-YFKPBYRVSA-N |
Chemical Property Profile of S-Nitroso-N-Acetylpenicillamine
Property Insights of S-Nitroso-N-Acetylpenicillamine
The XLogP value of -0.3 indicates that S-Nitroso-N-Acetylpenicillamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Nitroso-N-Acetylpenicillamine. Following Lipinski's Rule of Five, S-Nitroso-N-Acetylpenicillamine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-Nitroso-N-Acetylpenicillamine?
The CAS number of S-Nitroso-N-Acetylpenicillamine is 152971-80-7.
What is the molecular formula of S-Nitroso-N-Acetylpenicillamine?
The molecular formula of S-Nitroso-N-Acetylpenicillamine is C7H12N2O4S.
What is the molecular weight of S-Nitroso-N-Acetylpenicillamine?
The molecular weight of S-Nitroso-N-Acetylpenicillamine is 220.05177 g/mol.
Where can I buy S-Nitroso-N-Acetylpenicillamine?
You can request a quote for S-Nitroso-N-Acetylpenicillamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Nitroso-N-Acetylpenicillamine?
Yes, CoreyChem provides custom synthesis services for S-Nitroso-N-Acetylpenicillamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.