![(7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one structure](/static/products/121/1212357-11-3.webp)
(7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
TL;DR: (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one (CAS 1212357-11-3) is a chemical compound with molecular formula C27H29FN2O4 and molecular weight 464.21112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one, (7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, (S)-10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Technical Specifications
| Molecular Formula | C27H29FN2O4 |
| Molecular Weight | 464.21112 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.21112 Da |
| Heavy Atoms | 34 |
| Complexity | 817.0 |
| SMILES | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=C(C=C4)F)OC)OC)OC |
| InChIKey | HLFKXTSKJNTLAE-NRFANRHFSA-N |
Chemical Property Profile of (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Property Insights of (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
The XLogP value of 3.9 indicates that (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one. Following Lipinski's Rule of Five, (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-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)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
The CAS number of (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one is 1212357-11-3.
What is the molecular formula of (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
The molecular formula of (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one is C27H29FN2O4.
What is the molecular weight of (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
The molecular weight of (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one is 464.21112 g/mol.
Where can I buy (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
You can request a quote for (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one?
Yes, CoreyChem provides custom synthesis services for (7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.