![(S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide structure](/static/products/117/1173678-68-6.webp)
(S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
TL;DR: (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 1173678-68-6) is a chemical compound with molecular formula C31H34FN3O5 and molecular weight 547.2482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-10-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-10-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-{(7S)-10-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
Technical Specifications
| Molecular Formula | C31H34FN3O5 |
| Molecular Weight | 547.2482 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.2482 Da |
| Heavy Atoms | 40 |
| Complexity | 1030.0 |
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCN(CC4)C5=CC=C(C=C5)F)OC)OC)OC |
| InChIKey | ZVXFDQPUMKRGLE-VWLOTQADSA-N |
Chemical Property Profile of (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Property Insights of (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
The XLogP value of 3.4 indicates that (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. Following Lipinski's Rule of Five, (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The CAS number of (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 1173678-68-6.
What is the molecular formula of (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The molecular formula of (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is C31H34FN3O5.
What is the molecular weight of (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The molecular weight of (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 547.2482 g/mol.
Where can I buy (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
You can request a quote for (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for (S)-N-(10-(4-(4-fluorophenyl)piperazin-1-yl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.