![(7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one structure](/static/products/121/1212391-80-4.webp)
(7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
TL;DR: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 1212391-80-4) is a chemical compound with molecular formula C26H29N3O4 and molecular weight 447.21582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, (S)-1,2,3-trimethoxy-7-(methylamino)-10-((pyridin-3-ylmethyl)amino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Technical Specifications
| Molecular Formula | C26H29N3O4 |
| Molecular Weight | 447.21582 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.21582 Da |
| Heavy Atoms | 33 |
| Complexity | 792.0 |
| SMILES | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CN=CC=C4)OC)OC)OC |
| InChIKey | UCAJJBBACQVBBG-FQEVSTJZSA-N |
Chemical Property Profile of (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Property Insights of (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one. Following Lipinski's Rule of Five, (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The CAS number of (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is 1212391-80-4.
What is the molecular formula of (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular formula of (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is C26H29N3O4.
What is the molecular weight of (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular weight of (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is 447.21582 g/mol.
Where can I buy (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
You can request a quote for (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one?
Yes, CoreyChem provides custom synthesis services for (7S)-1,2,3-trimethoxy-7-(methylamino)-10-(pyridin-3-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.