![(E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/847/847244-08-0.png)
(E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 847244-08-0) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-({oxo[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 1.8973 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 892.2666 |
Chemical Identifiers
| CAS Number | 847244-08-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)N/N=C/C3=CN=CC=C3 |
Product Overview
(E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 847244-08-0), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: methyl 2-[[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 1.8973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[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-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 847244-08-0.
What is the molecular formula of (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C18H18N4O4S.
What is the molecular weight of (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 386.10 g/mol.
Where can I buy (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[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-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-oxo-2-(2-(pyridin-3-ylmethylene)hydrazinyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.