Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 565225-54-9) is a chemical compound with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-[2-oxo-2-(prop-2-enylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-oxo-2- ethyl]ester, 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-ethyl 4-[2-oxo-2-(2-propenylamino)ethyl] ester (9CI), 2-O-ethyl 4-O-[2-oxo-2-(prop-2-enylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C15H20N2O5 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 1.26724 |
| Topological Polar Surface Area | 97.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.1372 |
| Heavy Atoms | 22 |
| Complexity | 588.9984 |
Chemical Identifiers
| CAS Number | 565225-54-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCC=C)C |
Product Overview
Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 565225-54-9), with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol. IUPAC: 2-O-ethyl 4-O-[2-oxo-2-(prop-2-enylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 1.26724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-enylcarbamoylmethyl 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 Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, Prop-2-enylcarbamoylmethyl 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 Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 565225-54-9.
What is the molecular formula of Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is C15H20N2O5.
What is the molecular weight of Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 308.14 g/mol.
Where can I buy Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for Prop-2-enylcarbamoylmethyl 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 Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-enylcarbamoylmethyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.