2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester
TL;DR: 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester (CAS 21898-53-3) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-ethoxy-2-oxoacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Pyrrole-3-glyoxylic acid,4-dimethyl-, diethyl ester, 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester, ethyl 4-(2-ethoxy-2-oxoacetyl)-3,5-dimethyl-1H-pyrrole-2-car, ethyl 4-[ethoxy(oxo)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, Pyrrole-3-glyoxylic acid, 5-carboxy-2,4-dimethyl-, diethyl ester
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 21898-53-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(=O)OCC)C |
| InChIKey | WPDMTKHPCJMSMU-UHFFFAOYSA-N |
Product Overview
2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester (CAS 21898-53-3), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: ethyl 4-(2-ethoxy-2-oxoacetyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester
Property Insights of 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester. Following Lipinski's Rule of Five, 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester 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 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester?
The CAS number of 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester is 21898-53-3.
What is the molecular formula of 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester?
The molecular formula of 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester is C13H17NO5.
What is the molecular weight of 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester?
The molecular weight of 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester is 267.11 g/mol.
Where can I buy 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester?
You can request a quote for 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-5-carboxy-alpha-oxo-1H-pyrrole-3-oxoacetic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.