Akagerine
TL;DR: Akagerine (CAS 56519-07-4) is a chemical compound with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-hydroxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl)but-2-enal
Also Known As: Akagerine, (alphaE)-alpha-Ethylidene-1,2,3,3aalpha,4,5,6,7-octahydro-7alpha-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5beta-acetaldehyde
| Molecular Formula | C20H24N2O2 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.18378 |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 56519-07-4 |
|---|---|
| SMILES | CC=C(C=O)C1CC2C3=C(CCN2C)C4=CC=CC=C4N3C(C1)O |
| InChIKey | LGSDYQBPJKYJCT-UHFFFAOYSA-N |
Product Overview
Akagerine (CAS 56519-07-4), with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol. IUPAC: 2-(9-hydroxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl)but-2-enal.
Chemical Property Profile of Akagerine
Property Insights of Akagerine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Akagerine. With a topological polar surface area (TPSA) of 45.5 Ų, Akagerine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Akagerine has 1 hydrogen bond donor(s) and 3 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 Akagerine?
The CAS number of Akagerine is 56519-07-4.
What is the molecular formula of Akagerine?
The molecular formula of Akagerine is C20H24N2O2.
What is the molecular weight of Akagerine?
The molecular weight of Akagerine is 324.18 g/mol.
Where can I buy Akagerine?
You can request a quote for Akagerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Akagerine?
Yes, KEHONG BIO provides custom synthesis services for Akagerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.