Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 556037-63-9) is a chemical compound with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-[2-(ethylamino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 2-O-ethyl 4-O-[2-(ethylamino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-ethyl 4-[2-(ethylamino)-2-oxoethyl] ester (9CI), 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-(ethylamino)-2-oxoethyl]ester(9CI)
| Molecular Formula | C14H20N2O5 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 1.10114 |
| Topological Polar Surface Area | 97.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.1372 |
| Heavy Atoms | 21 |
| Complexity | 547.80444 |
Chemical Identifiers
| CAS Number | 556037-63-9 |
|---|---|
| SMILES | CCNC(=O)COC(=O)C1=C(NC(=C1C)C(=O)OCC)C |
Product Overview
Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 556037-63-9), with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol. IUPAC: 2-O-ethyl 4-O-[2-(ethylamino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 1.10114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 97.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate has 2 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 Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 556037-63-9.
What is the molecular formula of Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is C14H20N2O5.
What is the molecular weight of Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 296.14 g/mol.
Where can I buy Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-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 Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.