![ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate structure](/static/products/3523/352317-67-0.webp)
ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate
TL;DR: ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate (CAS 352317-67-0) is a chemical compound with molecular formula C18H22F3N3O3S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate, ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate, ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-2-(propionylamino)propanoate, ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-(propanoylamino)alaninate
| Molecular Formula | C18H22F3N3O3S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 3.64848 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1334 |
| Heavy Atoms | 28 |
| Complexity | 785.5095 |
Chemical Identifiers
| CAS Number | 352317-67-0 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C2=C(S1)CCCCC2)C#N |
Product Overview
ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate (CAS 352317-67-0), with molecular formula C18H22F3N3O3S and molecular weight 417.13 g/mol. IUPAC: ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate
Property Insights of ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate
The XLogP value of 3.64848 indicates that ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate. Following Lipinski's Rule of Five, ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate has 2 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-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
The CAS number of ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate is 352317-67-0.
What is the molecular formula of ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
The molecular formula of ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate is C18H22F3N3O3S.
What is the molecular weight of ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
The molecular weight of ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate is 417.13 g/mol.
Where can I buy ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
You can request a quote for ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate 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-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-propionamidopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.