![(E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/846/846579-12-2.png)
(E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 846579-12-2) is a chemical compound with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, 2-{[1-(2-Methoxy-phenyl)-meth-(E)-ylidene-hydrazinooxalyl]-amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester, ethyl 2-({[(2E)-2-(2-methoxybenzylidene)hydrazinyl](oxo)acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C22H25N3O5S |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 3.2911 |
| Topological Polar Surface Area | 106.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1515 |
| Heavy Atoms | 31 |
| Complexity | 999.0278 |
Chemical Identifiers
| CAS Number | 846579-12-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=O)N/N=C/C3=CC=CC=C3OC |
Product Overview
(E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 846579-12-2), with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol. IUPAC: ethyl 2-[[2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 3.2911 indicates that (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-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 106.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 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 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 846579-12-2.
What is the molecular formula of (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C22H25N3O5S.
What is the molecular weight of (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 443.15 g/mol.
Where can I buy (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-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 (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(2-(2-(2-methoxybenzylidene)hydrazinyl)-2-oxoacetamido)-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.