![methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate structure](/static/products/361/361989-69-7.png)
methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate
TL;DR: methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate (CAS 361989-69-7) is a chemical compound with molecular formula C21H19ClF3N3O3S and molecular weight 485.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorobenzoyl)amino]-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate, methyl 2-[(4-chlorobenzoyl)amino]-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoropropanoate, methyl 2-{[(4-chlorophenyl)carbonyl]amino}-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoroalaninate
| Molecular Formula | C21H19ClF3N3O3S |
|---|---|
| Molecular Weight | 485.08 g/mol |
| LogP | 4.81558 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.07877 |
| Heavy Atoms | 32 |
| Complexity | 1063.2129 |
Chemical Identifiers
| CAS Number | 361989-69-7 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate (CAS 361989-69-7), with molecular formula C21H19ClF3N3O3S and molecular weight 485.08 g/mol. IUPAC: methyl 2-[(4-chlorobenzoyl)amino]-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate
Property Insights of methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate
The XLogP value of 4.81558 indicates that methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate 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 methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate 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 methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate?
The CAS number of methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate is 361989-69-7.
What is the molecular formula of methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate?
The molecular formula of methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate is C21H19ClF3N3O3S.
What is the molecular weight of methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate?
The molecular weight of methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate is 485.08 g/mol.
Where can I buy methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate?
You can request a quote for methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-chlorobenzamido)-2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.