![methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate structure](/static/products/3523/352317-71-6.webp)
methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate
TL;DR: methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate (CAS 352317-71-6) is a chemical compound with molecular formula C20H19ClF3N3O4S and molecular weight 489.0737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Also Known As: methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate, methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate, methyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate, methyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(4-chlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
Technical Specifications
| Molecular Formula | C20H19ClF3N3O4S |
| Molecular Weight | 489.0737 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.0737 Da |
| Heavy Atoms | 32 |
| Complexity | 735.0 |
| SMILES | COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | SKDKIYCWIKLJPC-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate
Property Insights of methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate
The XLogP value of 5.2 indicates that methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate has 3 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 methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate?
The CAS number of methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate is 352317-71-6.
What is the molecular formula of methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate?
The molecular formula of methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate is C20H19ClF3N3O4S.
What is the molecular weight of methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate?
The molecular weight of methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate is 489.0737 g/mol.
Where can I buy methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate?
You can request a quote for methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate?
Yes, CoreyChem provides custom synthesis services for methyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(4-chlorobenzamido)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.