N-Nitrosocystisine
TL;DR: N-Nitrosocystisine (CAS 104759-77-5) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-nitroso-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: N-Nitrosocystisine, N-nitrosocytisine, BAS 00916425, 11-nitroso-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, 11-nitroso-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
Technical Specifications
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.10077 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.10077 Da |
| Heavy Atoms | 16 |
| Complexity | 402.0 |
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)N=O |
| InChIKey | VIMLBVWHEGYDNW-UHFFFAOYSA-N |
Chemical Property Profile of N-Nitrosocystisine
Property Insights of N-Nitrosocystisine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosocystisine. With a topological polar surface area (TPSA) of 53.0 Ų, N-Nitrosocystisine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitrosocystisine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Nitrosocystisine?
The CAS number of N-Nitrosocystisine is 104759-77-5.
What is the molecular formula of N-Nitrosocystisine?
The molecular formula of N-Nitrosocystisine is C11H13N3O2.
What is the molecular weight of N-Nitrosocystisine?
The molecular weight of N-Nitrosocystisine is 219.10077 g/mol.
Where can I buy N-Nitrosocystisine?
You can request a quote for N-Nitrosocystisine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Nitrosocystisine?
Yes, CoreyChem provides custom synthesis services for N-Nitrosocystisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.