1,2,3,3a,4,5-Hexahydrocanthin-6-one
TL;DR: 1,2,3,3a,4,5-Hexahydrocanthin-6-one (CAS 26400-25-9) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
Also Known As: 1,2,3,3a,4,5-Hexahydrocanthin-6-one, 1,2,3,3a,4,5-Hexahydro-6H-indol(3,2,1-de)(1,5)naphthyridin-6-one, 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one, 1,2,3,3a,4,5-hexahydro-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one, 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1,2,3,3a,4,5-hexahydro-
| Molecular Formula | C14H14N2O |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 2.2621 |
| Topological Polar Surface Area | 34.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.11061 |
| Heavy Atoms | 17 |
| Complexity | 626.4291 |
Chemical Identifiers
| CAS Number | 26400-25-9 |
|---|---|
| SMILES | C1CC(=O)N2C3=CC=CC=C3C4=C2C1NCC4 |
Product Overview
1,2,3,3a,4,5-Hexahydrocanthin-6-one (CAS 26400-25-9), with molecular formula C14H14N2O and molecular weight 226.11 g/mol. IUPAC: 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one.
Chemical Property Profile of 1,2,3,3a,4,5-Hexahydrocanthin-6-one
Property Insights of 1,2,3,3a,4,5-Hexahydrocanthin-6-one
The XLogP value of 2.2621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,3a,4,5-Hexahydrocanthin-6-one. With a topological polar surface area (TPSA) of 34.03 Ų, 1,2,3,3a,4,5-Hexahydrocanthin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,3a,4,5-Hexahydrocanthin-6-one has 1 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 1,2,3,3a,4,5-Hexahydrocanthin-6-one?
The CAS number of 1,2,3,3a,4,5-Hexahydrocanthin-6-one is 26400-25-9.
What is the molecular formula of 1,2,3,3a,4,5-Hexahydrocanthin-6-one?
The molecular formula of 1,2,3,3a,4,5-Hexahydrocanthin-6-one is C14H14N2O.
What is the molecular weight of 1,2,3,3a,4,5-Hexahydrocanthin-6-one?
The molecular weight of 1,2,3,3a,4,5-Hexahydrocanthin-6-one is 226.11 g/mol.
Where can I buy 1,2,3,3a,4,5-Hexahydrocanthin-6-one?
You can request a quote for 1,2,3,3a,4,5-Hexahydrocanthin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,3a,4,5-Hexahydrocanthin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,3a,4,5-Hexahydrocanthin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.