ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 359728-49-7) is a chemical compound with molecular formula C17H21NO3S and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
Also Known As: ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate, ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate, (4Z)-1-isobutyl-5-keto-2-methyl-4-(2-thenylidene)-2-pyrroline-3-carboxylic acid ethyl ester, (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-3-pyrrolecarboxylic acid ethyl ester, (Z)-ethyl 1-isobutyl-2-methyl-5-oxo-4-(thiophen-2-ylmethylene)-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C17H21NO3S |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.4668 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1242 |
| Heavy Atoms | 22 |
| Complexity | 626.33905 |
Chemical Identifiers
| CAS Number | 359728-49-7 |
|---|---|
| SMILES | CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=CS2)CC(C)C)C |
Product Overview
ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 359728-49-7), with molecular formula C17H21NO3S and molecular weight 319.12 g/mol. IUPAC: ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate.
Chemical Property Profile of ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.4668 indicates that ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate is 359728-49-7.
What is the molecular formula of ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate is C17H21NO3S.
What is the molecular weight of ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate is 319.12 g/mol.
Where can I buy ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.