9H-9,10-Aethano-acridin
TL;DR: 9H-9,10-Aethano-acridin (CAS 54293-04-8) is a chemical compound with molecular formula C22H33NO3 and molecular weight 359.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,3bS,9aR,9bS,11aS)-1-acetyl-6-(2-hydroxyethyl)-9a,11a-dimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
Also Known As: 9H-9,10-Aethano-acridin, KST-1A5701, (4ar,4bs,6as,7s,9as,9bs)-7-acetyl-1-(2-hydroxyethyl)-4a,6a-dimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2h-indeno[5,4-f]quinolin-2-one, (1S,3aS,3bS,9aR,9bS,11aS)-1-acetyl-6-(2-hydroxyethyl)-9a,11a, (1S,3aS,3bS,9aR,9bS,11aS)-1-acetyl-6-(2-hydroxyethyl)-9a,11a-dimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
| Molecular Formula | C22H33NO3 |
|---|---|
| Molecular Weight | 359.25 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.24603 |
| Heavy Atoms | 26 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 54293-04-8 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)N4CCO)C)C |
| InChIKey | JLCADYKUNFKFDQ-QDJVIIKBSA-N |
Product Overview
9H-9,10-Aethano-acridin (CAS 54293-04-8), with molecular formula C22H33NO3 and molecular weight 359.25 g/mol. IUPAC: (1S,3aS,3bS,9aR,9bS,11aS)-1-acetyl-6-(2-hydroxyethyl)-9a,11a-dimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.
Chemical Property Profile of 9H-9,10-Aethano-acridin
Property Insights of 9H-9,10-Aethano-acridin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-9,10-Aethano-acridin. With a topological polar surface area (TPSA) of 57.6 Ų, 9H-9,10-Aethano-acridin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-9,10-Aethano-acridin 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 9H-9,10-Aethano-acridin?
The CAS number of 9H-9,10-Aethano-acridin is 54293-04-8.
What is the molecular formula of 9H-9,10-Aethano-acridin?
The molecular formula of 9H-9,10-Aethano-acridin is C22H33NO3.
What is the molecular weight of 9H-9,10-Aethano-acridin?
The molecular weight of 9H-9,10-Aethano-acridin is 359.25 g/mol.
Where can I buy 9H-9,10-Aethano-acridin?
You can request a quote for 9H-9,10-Aethano-acridin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-9,10-Aethano-acridin?
Yes, KEHONG BIO provides custom synthesis services for 9H-9,10-Aethano-acridin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.