N-Nitrosocystisine
TL;DR: N-Nitrosocystisine (CAS 104759-77-5) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 0.9488 |
| Topological Polar Surface Area | 54.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 482.36316 |
Chemical Identifiers
| CAS Number | 104759-77-5 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)N=O |
Product Overview
N-Nitrosocystisine (CAS 104759-77-5), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: 11-nitroso-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of N-Nitrosocystisine
Property Insights of N-Nitrosocystisine
The XLogP value of 0.9488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosocystisine. With a topological polar surface area (TPSA) of 54.67 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 3 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-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 219.10 g/mol.
Where can I buy N-Nitrosocystisine?
You can request a quote for N-Nitrosocystisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosocystisine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosocystisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.