![[[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate structure](/static/products/866/866019-31-0.png)
[[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate
TL;DR: [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate (CAS 866019-31-0) is a chemical compound with molecular formula C17H13F3N2O4S and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate
Also Known As: [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate, 2,2,2-trifluoro-N-(6-{[(3-methoxybenzoyl)oxy]imino}-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetamide
| Molecular Formula | C17H13F3N2O4S |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 3.4411 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0548 |
| Heavy Atoms | 27 |
| Complexity | 907.5786 |
Chemical Identifiers
| CAS Number | 866019-31-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)ON=C2CC(C3=C2SC=C3)NC(=O)C(F)(F)F |
Product Overview
[[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate (CAS 866019-31-0), with molecular formula C17H13F3N2O4S and molecular weight 398.05 g/mol. IUPAC: [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate.
Chemical Property Profile of [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate
Property Insights of [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate
The XLogP value of 3.4411 indicates that [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate. Following Lipinski's Rule of Five, [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate has 1 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 [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate?
The CAS number of [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate is 866019-31-0.
What is the molecular formula of [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate?
The molecular formula of [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate is C17H13F3N2O4S.
What is the molecular weight of [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate?
The molecular weight of [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate is 398.05 g/mol.
Where can I buy [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate?
You can request a quote for [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [[4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.