N-Benzylcytisine
TL;DR: N-Benzylcytisine (CAS 78867-61-5) is a chemical compound with molecular formula C18H20N2O and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S)-11-benzyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: N-Benzylcytisine, BAS 13121846, J2.235.776J, (1R,5S)-3-Benzyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one, (1R,9S)-11-benzyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 2.4676 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 691.86456 |
Chemical Identifiers
| CAS Number | 78867-61-5 |
|---|---|
| SMILES | C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)CC4=CC=CC=C4 |
Product Overview
N-Benzylcytisine (CAS 78867-61-5), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: (1R,9S)-11-benzyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of N-Benzylcytisine
Property Insights of N-Benzylcytisine
The XLogP value of 2.4676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzylcytisine. With a topological polar surface area (TPSA) of 25.24 Ų, N-Benzylcytisine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzylcytisine 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-Benzylcytisine?
The CAS number of N-Benzylcytisine is 78867-61-5.
What is the molecular formula of N-Benzylcytisine?
The molecular formula of N-Benzylcytisine is C18H20N2O.
What is the molecular weight of N-Benzylcytisine?
The molecular weight of N-Benzylcytisine is 280.16 g/mol.
Where can I buy N-Benzylcytisine?
You can request a quote for N-Benzylcytisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylcytisine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylcytisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.