S-Nitroso-N-acetylpenicillamine, (+-)
TL;DR: S-Nitroso-N-acetylpenicillamine, (+-) (CAS 67776-06-1) is a chemical compound with molecular formula C7H12N2O4S and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid
Also Known As: snap, S-Nitroso-N-acetyl-DL-penicillamine, SNAP (amino acid), Valine,N-acetyl-3-(nitrosothio)-, S-Nonap
| Molecular Formula | C7H12N2O4S |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.05177 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 67776-06-1 |
|---|---|
| SMILES | CC(=O)NC(C(=O)O)C(C)(C)SN=O |
| InChIKey | ZIIQCSMRQKCOCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Nitroso-N-acetylpenicillamine, (+-) (CAS 67776-06-1), with molecular formula C7H12N2O4S and molecular weight 220.05 g/mol. IUPAC: 2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid.
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
Frequently Asked Questions
What is the CAS number of S-Nitroso-N-acetylpenicillamine, (+-)?
The CAS number of S-Nitroso-N-acetylpenicillamine, (+-) is 67776-06-1.
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 220.05 g/mol.
Where can I buy S-Nitroso-N-acetylpenicillamine, (+-)?
You can request a quote for S-Nitroso-N-acetylpenicillamine, (+-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Nitroso-N-acetylpenicillamine, (+-)?
Yes, KEHONG BIO provides custom synthesis services for S-Nitroso-N-acetylpenicillamine, (+-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.