![(E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate structure](/static/products/702/70291-53-1.png)
(E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate
TL;DR: (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate (CAS 70291-53-1) is a chemical compound with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoate
Also Known As: (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate, ethyl (2E)-3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoate, ethyl (E)-3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoate
| Molecular Formula | C16H20N2O2S |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.76748 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.12454 |
| Heavy Atoms | 21 |
| Complexity | 596.1535 |
Chemical Identifiers
| CAS Number | 70291-53-1 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/NC1=C(C2=C(S1)CCCCC2)C#N |
Product Overview
(E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate (CAS 70291-53-1), with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol. IUPAC: ethyl (E)-3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoate.
Chemical Property Profile of (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate
Property Insights of (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate
The XLogP value of 3.76748 indicates that (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate. Following Lipinski's Rule of Five, (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate has 1 hydrogen bond donor(s) and 5 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 (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate?
The CAS number of (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate is 70291-53-1.
What is the molecular formula of (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate?
The molecular formula of (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate is C16H20N2O2S.
What is the molecular weight of (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate?
The molecular weight of (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate is 304.12 g/mol.
Where can I buy (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate?
You can request a quote for (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.