N-Acetylytisine
TL;DR: N-Acetylytisine (CAS 6018-52-6) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: N-acetylcytisine, N-Acetylytisine, 11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, (1R,9S)-11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, 3-Acetyl-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 0.8139 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 520.3959 |
Chemical Identifiers
| CAS Number | 6018-52-6 |
|---|---|
| SMILES | CC(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2 |
Product Overview
N-Acetylytisine (CAS 6018-52-6), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of N-Acetylytisine
Property Insights of N-Acetylytisine
The XLogP value of 0.8139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetylytisine. With a topological polar surface area (TPSA) of 42.31 Ų, N-Acetylytisine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetylytisine has 0 hydrogen bond donor(s) and 2 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-Acetylytisine?
The CAS number of N-Acetylytisine is 6018-52-6.
What is the molecular formula of N-Acetylytisine?
The molecular formula of N-Acetylytisine is C13H16N2O2.
What is the molecular weight of N-Acetylytisine?
The molecular weight of N-Acetylytisine is 232.12 g/mol.
Where can I buy N-Acetylytisine?
You can request a quote for N-Acetylytisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylytisine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylytisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.