![ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate structure](/static/products/104/1044750-97-1.webp)
ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate
TL;DR: ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate (CAS 1044750-97-1) is a chemical compound with molecular formula C23H25F3N2O5S2 and molecular weight 530.1157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate
Also Known As: ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate
Technical Specifications
| Molecular Formula | C23H25F3N2O5S2 |
| Molecular Weight | 530.1157 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 530.1157 Da |
| Heavy Atoms | 35 |
| Complexity | 828.0 |
| SMILES | CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2 |
| InChIKey | CODBLZXGKZRWRL-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate
Property Insights of ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate
The XLogP value of 3.8 indicates that ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate. Following Lipinski's Rule of Five, ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate?
The CAS number of ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate is 1044750-97-1.
What is the molecular formula of ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate?
The molecular formula of ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate is C23H25F3N2O5S2.
What is the molecular weight of ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate?
The molecular weight of ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate is 530.1157 g/mol.
Where can I buy ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate?
You can request a quote for ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-benzylsulfanyl-2-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.