ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 331712-61-9) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3,4-dimethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
Also Known As: BAS 00645775, AB00083771-01, ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, AH-487/36173030, ethyl 1-(3,4-dimethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 331712-61-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)C1)C2=CC(=C(C=C2)C)C)C |
| InChIKey | NAYHHQJUNNHXSW-UHFFFAOYSA-N |
Product Overview
ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 331712-61-9), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: ethyl 1-(3,4-dimethylphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
Chemical Property Profile of ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 331712-61-9.
What is the molecular formula of ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C16H19NO3.
What is the molecular weight of ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 273.14 g/mol.
Where can I buy ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-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 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.