(3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one
TL;DR: (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one (CAS 1212411-56-7) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(12S)-13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one
Also Known As: (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one, (S)-3-acetyl-8-methyl-3,3a,4,5-tetrahydro-1H-3,10b-diazaacephenanthrylen-6(2H)-one
Technical Specifications
| Molecular Formula | C17H18N2O2 |
| Molecular Weight | 282.13684 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.13684 Da |
| Heavy Atoms | 21 |
| Complexity | 539.0 |
| SMILES | CC1=CC2=C(C=C1)N3CCN([C@@H]4C3=C(C2=O)CC4)C(=O)C |
| InChIKey | FMXVYDSBPBRKBI-HNNXBMFYSA-N |
Chemical Property Profile of (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one
Property Insights of (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one. With a topological polar surface area (TPSA) of 40.6 Ų, (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one?
The CAS number of (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one is 1212411-56-7.
What is the molecular formula of (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one?
The molecular formula of (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one is C17H18N2O2.
What is the molecular weight of (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one?
The molecular weight of (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one is 282.13684 g/mol.
Where can I buy (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one?
You can request a quote for (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one?
Yes, CoreyChem provides custom synthesis services for (3aS)-3-acetyl-8-methyl-1,2,3,3a,4,5-hexahydro-6H-3,10b-diazaacephenanthrylen-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.