![(S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide structure](/static/products/121/1212105-27-5.webp)
(S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
TL;DR: (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 1212105-27-5) is a chemical compound with molecular formula C29H29F3N2O5 and molecular weight 542.2029 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-[[2-(trifluoromethyl)phenyl]methylamino]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-1,2,3-trimethoxy-9-oxo-10-[[2-(trifluoromethyl)phenyl]methylamino]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-[(7S)-1,2,3-trimethoxy-9-oxo-10-{[2-(trifluoromethyl)benzyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Technical Specifications
| Molecular Formula | C29H29F3N2O5 |
| Molecular Weight | 542.2029 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.2029 Da |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4C(F)(F)F)OC)OC)OC |
| InChIKey | ZCPMHTQVNPXBSW-QFIPXVFZSA-N |
Chemical Property Profile of (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Property Insights of (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
The XLogP value of 4.5 indicates that (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-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 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. Following Lipinski's Rule of Five, (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The CAS number of (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 1212105-27-5.
What is the molecular formula of (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The molecular formula of (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is C29H29F3N2O5.
What is the molecular weight of (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The molecular weight of (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 542.2029 g/mol.
Where can I buy (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
You can request a quote for (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-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-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for (S)-N-(1,2,3-trimethoxy-9-oxo-10-((2-(trifluoromethyl)benzyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.