![ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/4450/445015-03-2.webp)
ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 445015-03-2) is a chemical compound with molecular formula C27H23F4N3O3S2 and molecular weight 577.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C27H23F4N3O3S2 |
|---|---|
| Molecular Weight | 577.11 g/mol |
| LogP | 7.4628 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.1117 |
| Heavy Atoms | 39 |
| Complexity | 1576.1204 |
Chemical Identifiers
| CAS Number | 445015-03-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C4=C(S3)N=C(C=C4C5=CC=C(C=C5)F)C(F)(F)F)N |
Product Overview
ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 445015-03-2), with molecular formula C27H23F4N3O3S2 and molecular weight 577.11 g/mol. IUPAC: ethyl 2-[[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 7.4628 indicates that ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 445015-03-2.
What is the molecular formula of ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C27H23F4N3O3S2.
What is the molecular weight of ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 577.11 g/mol.
Where can I buy ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate 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-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.