![ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-fluorobenzamido)propanoate structure](/static/products/373/373371-28-9.png)
ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-fluorobenzamido)propanoate
TL;DR: ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-fluorobenzamido)propanoate (CAS 373371-28-9) is a chemical compound with molecular formula C22H21F4N3O3S and molecular weight 483.12 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-[(2-fluorobenzoyl)amino]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-(2-fluorobenzamido)propanoate, ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate, ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-{[(2-fluorophenyl)carbonyl]amino}alaninate
| Molecular Formula | C22H21F4N3O3S |
|---|---|
| Molecular Weight | 483.12 g/mol |
| LogP | 4.69138 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.12396 |
| Heavy Atoms | 33 |
| Complexity | 1093.5308 |
Chemical Identifiers
| CAS Number | 373371-28-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)C3=CC=CC=C3F |
Product Overview
ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-fluorobenzamido)propanoate (CAS 373371-28-9), with molecular formula C22H21F4N3O3S and molecular weight 483.12 g/mol. IUPAC: ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]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-(2-fluorobenzamido)propanoate
Property Insights of ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-fluorobenzamido)propanoate
The XLogP value of 4.69138 indicates that ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-fluorobenzamido)propanoate 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-(2-fluorobenzamido)propanoate. 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-(2-fluorobenzamido)propanoate 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-(2-fluorobenzamido)propanoate?
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-(2-fluorobenzamido)propanoate is 373371-28-9.
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-(2-fluorobenzamido)propanoate?
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-(2-fluorobenzamido)propanoate is C22H21F4N3O3S.
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-(2-fluorobenzamido)propanoate?
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-(2-fluorobenzamido)propanoate is 483.12 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-(2-fluorobenzamido)propanoate?
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-(2-fluorobenzamido)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-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(2-fluorobenzamido)propanoate?
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-(2-fluorobenzamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.