(3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde
TL;DR: (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde (CAS 1212155-91-3) is a chemical compound with molecular formula C21H24N2O2 and molecular weight 336.18378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(12S)-5-cyclohexyl-8-oxo-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraene-13-carbaldehyde
Also Known As: (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde, (S)-8-cyclohexyl-6-oxo-3a,4,5,6-tetrahydro-1H-3,10b-diazaacephenanthrylene-3(2H)-carbaldehyde
Technical Specifications
| Molecular Formula | C21H24N2O2 |
| Molecular Weight | 336.18378 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.18378 Da |
| Heavy Atoms | 25 |
| Complexity | 607.0 |
| SMILES | C1CCC(CC1)C2=CC3=C(C=C2)N4CCN([C@@H]5C4=C(C3=O)CC5)C=O |
| InChIKey | VUKBWFIIJBPOAK-IBGZPJMESA-N |
Chemical Property Profile of (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde
Property Insights of (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde
The XLogP value of 3.8 indicates that (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde 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)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde?
The CAS number of (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde is 1212155-91-3.
What is the molecular formula of (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde?
The molecular formula of (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde is C21H24N2O2.
What is the molecular weight of (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde?
The molecular weight of (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde is 336.18378 g/mol.
Where can I buy (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde?
You can request a quote for (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for (3aS)-8-cyclohexyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.