Caulophylline
TL;DR: Caulophylline (CAS 56974-60-8) 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.
11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: N-Methylcytisine, Caulophylline, Caulophyllin, 12-Methylcytisine, 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 | 56974-60-8 |
|---|---|
| SMILES | CN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| InChIKey | CULUKMPMGVXCEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Caulophylline (CAS 56974-60-8), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: 11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of Caulophylline
Property Insights of Caulophylline
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caulophylline. With a topological polar surface area (TPSA) of 23.6 Ų, Caulophylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Caulophylline 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 Caulophylline?
The CAS number of Caulophylline is 56974-60-8.
What is the molecular formula of Caulophylline?
The molecular formula of Caulophylline is C12H16N2O.
What is the molecular weight of Caulophylline?
The molecular weight of Caulophylline is 204.13 g/mol.
Where can I buy Caulophylline?
You can request a quote for Caulophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caulophylline?
Yes, KEHONG BIO provides custom synthesis services for Caulophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.