N-Methylcytisine
TL;DR: N-Methylcytisine (CAS 63699-79-6) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: N-Methylcytisine, Caulophylline, Caulophyllin, Methylcytisine, 12-Methylcytisine
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 63699-79-6 |
|---|---|
| SMILES | CN1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2 |
| InChIKey | CULUKMPMGVXCEI-VHSXEESVSA-N |
Product Overview
N-Methylcytisine (CAS 63699-79-6), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of N-Methylcytisine
Property Insights of N-Methylcytisine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylcytisine. With a topological polar surface area (TPSA) of 23.6 Ų, N-Methylcytisine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylcytisine 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-Methylcytisine?
The CAS number of N-Methylcytisine is 63699-79-6.
What is the molecular formula of N-Methylcytisine?
The molecular formula of N-Methylcytisine is C12H16N2O.
What is the molecular weight of N-Methylcytisine?
The molecular weight of N-Methylcytisine is 204.13 g/mol.
Where can I buy N-Methylcytisine?
You can request a quote for N-Methylcytisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylcytisine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylcytisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.