![methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate structure](/static/products/187/187097-50-3.png)
methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
TL;DR: methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate (CAS 187097-50-3) is a chemical compound with molecular formula C17H18N2O4S2 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4E)-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzothiophene-6-carboxylate
Also Known As: methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate, AP-836/41220278, methyl (4E)-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzothiophene-6-carboxylate
| Molecular Formula | C17H18N2O4S2 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 2.47452 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0708 |
| Heavy Atoms | 25 |
| Complexity | 914.3794 |
Chemical Identifiers
| CAS Number | 187097-50-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC(CC3=C2C=CS3)C(=O)OC |
Product Overview
methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate (CAS 187097-50-3), with molecular formula C17H18N2O4S2 and molecular weight 378.07 g/mol. IUPAC: methyl (4E)-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzothiophene-6-carboxylate.
Chemical Property Profile of methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
Property Insights of methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
The XLogP value of 2.47452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate. Following Lipinski's Rule of Five, methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate 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 methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate?
The CAS number of methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate is 187097-50-3.
What is the molecular formula of methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate?
The molecular formula of methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate is C17H18N2O4S2.
What is the molecular weight of methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate?
The molecular weight of methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate is 378.07 g/mol.
Where can I buy methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate?
You can request a quote for methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(4-methylphenyl)sulfonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.