![methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate structure](/static/products/4778/477872-76-7.webp)
methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
TL;DR: methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate (CAS 477872-76-7) is a chemical compound with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-(4-methylanilino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate, methyl 3-[2-[2-(4-methylanilino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate, methyl 3-(2-{[(4-methylphenyl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate, methyl3-(2-{[(4-methylphenyl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
| Molecular Formula | C23H18N2O4S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 4.60842 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.09872 |
| Heavy Atoms | 30 |
| Complexity | 1268.1028 |
Chemical Identifiers
| CAS Number | 477872-76-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C(=O)C2=CC=CN2C3=C(SC4=CC=CC=C43)C(=O)OC |
Product Overview
methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate (CAS 477872-76-7), with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol. IUPAC: methyl 3-[2-[2-(4-methylanilino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
Property Insights of methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
The XLogP value of 4.60842 indicates that methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate 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 methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate?
The CAS number of methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate is 477872-76-7.
What is the molecular formula of methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate?
The molecular formula of methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate is C23H18N2O4S.
What is the molecular weight of methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate?
The molecular weight of methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate is 418.10 g/mol.
Where can I buy methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate?
You can request a quote for methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{2-[2-oxo-2-(4-toluidino)acetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.