1,11-Dimethoxycanthin-6-one
TL;DR: 1,11-Dimethoxycanthin-6-one (CAS 1124-93-2) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Also Known As: 1,11-Dimethoxycanthin-6-one, 1,11-dimethoxy-6h-indolo[3,2,1-de][1,5]naphthyridin-6-one, J2.039.314I, 1-Propanamine, N-[2-[2-(1-methylethyl)phenoxy]ethyl]-, 1,11-DIMETHOXY-6H-INDOLO(3,2,1-DE)(1,5)NAPHTHYRIDIN-6-ONE
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 1124-93-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1C3=C4N2C(=O)C=CC4=NC=C3OC |
| InChIKey | VGXICZIFUHMPMS-UHFFFAOYSA-N |
Product Overview
1,11-Dimethoxycanthin-6-one (CAS 1124-93-2), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 8,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one.
Chemical Property Profile of 1,11-Dimethoxycanthin-6-one
Property Insights of 1,11-Dimethoxycanthin-6-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,11-Dimethoxycanthin-6-one. With a topological polar surface area (TPSA) of 53.4 Ų, 1,11-Dimethoxycanthin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,11-Dimethoxycanthin-6-one has 0 hydrogen bond donor(s) and 4 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 1,11-Dimethoxycanthin-6-one?
The CAS number of 1,11-Dimethoxycanthin-6-one is 1124-93-2.
What is the molecular formula of 1,11-Dimethoxycanthin-6-one?
The molecular formula of 1,11-Dimethoxycanthin-6-one is C16H12N2O3.
What is the molecular weight of 1,11-Dimethoxycanthin-6-one?
The molecular weight of 1,11-Dimethoxycanthin-6-one is 280.08 g/mol.
Where can I buy 1,11-Dimethoxycanthin-6-one?
You can request a quote for 1,11-Dimethoxycanthin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,11-Dimethoxycanthin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1,11-Dimethoxycanthin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.