dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 7494-94-2) is a chemical compound with molecular formula C12H15NO6 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate, dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-di, dimethyl 5-(methoxycarbonylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C12H15NO6 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.08994 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 7494-94-2 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)CC(=O)OC)C(=O)OC |
| InChIKey | ODHGGKQAYWXSDW-UHFFFAOYSA-N |
Product Overview
dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 7494-94-2), with molecular formula C12H15NO6 and molecular weight 269.09 g/mol. IUPAC: dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate 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 dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate is 7494-94-2.
What is the molecular formula of dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate is C12H15NO6.
What is the molecular weight of dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate is 269.09 g/mol.
Where can I buy dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(2-methoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.