4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate
TL;DR: 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate (CAS 6960-59-4) is a chemical compound with molecular formula C14H20N2O6 and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate
Also Known As: 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate, 4-Ethyl 2-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylicacid, 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-, 4-ethyl 2-methyl ester,hydrochloride (1:1)
| Molecular Formula | C14H20N2O6 |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.13214 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 6960-59-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1CCC(=O)OC)C(=O)OC)CN |
| InChIKey | HLQTXVCGTZQMCU-UHFFFAOYSA-N |
Product Overview
4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate (CAS 6960-59-4), with molecular formula C14H20N2O6 and molecular weight 312.13 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate
Property Insights of 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 7 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 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate is 6960-59-4.
What is the molecular formula of 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate is C14H20N2O6.
What is the molecular weight of 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate is 312.13 g/mol.
Where can I buy 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-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 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-ethyl 2-O-methyl 5-(aminomethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.