Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate
TL;DR: Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate (CAS 5437-14-9) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate, ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1h-pyrrole-2-carboxylate, O-Methyl-L-tyrosine, Ethyl2,4-dimethyl-5- -3-pyrrolepropionate, J1.145.656A
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 5437-14-9 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(NC(=C1C)C(=O)OCC)C |
| InChIKey | ZYNJVGCLOFPWFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate (CAS 5437-14-9), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate
Property Insights of Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate. Following Lipinski's Rule of Five, Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate has 1 hydrogen bond donor(s) and 4 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 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate?
The CAS number of Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate is 5437-14-9.
What is the molecular formula of Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate?
The molecular formula of Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate is C14H21NO4.
What is the molecular weight of Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate?
The molecular weight of Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate is 267.15 g/mol.
Where can I buy Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate?
You can request a quote for Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.