![ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate structure](/static/products/374/374086-39-2.png)
ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate
TL;DR: ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate (CAS 374086-39-2) is a chemical compound with molecular formula C17H19F6N3O5S and molecular weight 491.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate
Also Known As: ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate, ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate, ethyl N-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate
| Molecular Formula | C17H19F6N3O5S |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 3.2479 |
| Topological Polar Surface Area | 119.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.09497 |
| Heavy Atoms | 32 |
| Complexity | 885.2538 |
Chemical Identifiers
| CAS Number | 374086-39-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)OCC(F)(F)F |
Product Overview
ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate (CAS 374086-39-2), with molecular formula C17H19F6N3O5S and molecular weight 491.09 g/mol. IUPAC: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate.
Chemical Property Profile of ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate
Property Insights of ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate
The XLogP value of 3.2479 indicates that ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate. Following Lipinski's Rule of Five, ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate?
The CAS number of ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate is 374086-39-2.
What is the molecular formula of ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate?
The molecular formula of ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate is C17H19F6N3O5S.
What is the molecular weight of ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate?
The molecular weight of ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate is 491.09 g/mol.
Where can I buy ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate?
You can request a quote for ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.