Akagerinelactone
TL;DR: Akagerinelactone (CAS 75667-85-5) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Akagerinelactone
4-[(5S,7R,9S)-9-hydroxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl]-2H-furan-5-one
Also Known As: Akagerinelactone, akagerine lactone, 2(5H)-Furanone, 3-((3aS,5R,7S)-1,2,3,3a,4,5,6,7-octahydro-7-hydroxy-3-methyl-3,7a-diazacyclohepta(jk)fluoren-5-yl)-, 3,7a-Diazacyclohepta(jk)fluorene, 2(5H)-furanone deriv., 3,7a-Diazacyclohepta[jk]fluorene, 2(5H)-furanone deriv.
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 75667-85-5 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1C[C@H](C[C@@H](N3C4=CC=CC=C24)O)C5=CCOC5=O |
| InChIKey | AQBARWNUNIQGJG-UUWFMWQGSA-N |
Product Overview
Akagerinelactone (CAS 75667-85-5), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: 4-[(5S,7R,9S)-9-hydroxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl]-2H-furan-5-one.
Chemical Property Profile of Akagerinelactone
Property Insights of Akagerinelactone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Akagerinelactone. With a topological polar surface area (TPSA) of 54.7 Ų, Akagerinelactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Akagerinelactone has 1 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 Akagerinelactone?
The CAS number of Akagerinelactone is 75667-85-5.
What is the molecular formula of Akagerinelactone?
The molecular formula of Akagerinelactone is C20H22N2O3.
What is the molecular weight of Akagerinelactone?
The molecular weight of Akagerinelactone is 338.16 g/mol.
Where can I buy Akagerinelactone?
You can request a quote for Akagerinelactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Akagerinelactone?
Yes, KEHONG BIO provides custom synthesis services for Akagerinelactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.