![(E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/844/844664-01-3.png)
(E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 844664-01-3) is a chemical compound with molecular formula C19H19N3O4S2 and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[2-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[{(2E)-2-[4-(methylsulfanyl)benzylidene]hydrazinyl}(oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H19N3O4S2 |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 2.8341 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0817 |
| Heavy Atoms | 28 |
| Complexity | 935.4005 |
Chemical Identifiers
| CAS Number | 844664-01-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)SC |
Product Overview
(E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 844664-01-3), with molecular formula C19H19N3O4S2 and molecular weight 417.08 g/mol. IUPAC: methyl 2-[[2-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 2.8341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. The TPSA of 96.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[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)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 844664-01-3.
What is the molecular formula of (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C19H19N3O4S2.
What is the molecular weight of (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 417.08 g/mol.
Where can I buy (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[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)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-(2-(4-(methylthio)benzylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.