![methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate structure](/static/products/866/866008-13-1.png)
methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate
TL;DR: methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate (CAS 866008-13-1) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-[2-[bis(prop-2-enyl)amino]-2-oxoacetyl]pyrrol-1-yl]-4-methylthiophene-2-carboxylate
Also Known As: methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate, methyl 3-(3-{[bis(prop-2-en-1-yl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-4-methylthiophene-2-carboxylate, methyl 3-[3-[2-[bis(prop-2-enyl)amino]-2-oxoacetyl]pyrrol-1-yl]-4-methylthiophene-2-carboxylate, methyl 3-[3-[2-(diallylamino)-2-oxo-acetyl]pyrrol-1-yl]-4-methyl-thiophene-2-carboxylate, methyl 3-(3-{[bis(prop-2-en-1-yl)carbamoyl]carbonyl}pyrrol-1-yl)-4-methylthiophene-2-carboxylate
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.01712 |
| Topological Polar Surface Area | 68.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.11438 |
| Heavy Atoms | 26 |
| Complexity | 852.77106 |
Chemical Identifiers
| CAS Number | 866008-13-1 |
|---|---|
| SMILES | CC1=CSC(=C1N2C=CC(=C2)C(=O)C(=O)N(CC=C)CC=C)C(=O)OC |
Product Overview
methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate (CAS 866008-13-1), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: methyl 3-[3-[2-[bis(prop-2-enyl)amino]-2-oxoacetyl]pyrrol-1-yl]-4-methylthiophene-2-carboxylate.
Chemical Property Profile of methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate
Property Insights of methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate
The XLogP value of 3.01712 indicates that methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate has 0 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-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate?
The CAS number of methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate is 866008-13-1.
What is the molecular formula of methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate?
The molecular formula of methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate is C19H20N2O4S.
What is the molecular weight of methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate?
The molecular weight of methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate is 372.11 g/mol.
Where can I buy methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate?
You can request a quote for methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{3-[2-(diallylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.