Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate
TL;DR: Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate (CAS 5242-59-1) is a chemical compound with molecular formula C19H30N2O3 and molecular weight 334.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate
Also Known As: ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate, Ethyl 3-(3-oxooct-1-en-1-yl)-4-(pyrrolidin-1-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate
| Molecular Formula | C19H30N2O3 |
|---|---|
| Molecular Weight | 334.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 334.22565 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 5242-59-1 |
|---|---|
| SMILES | CCCCCC(=O)C=CC1=C(CN(C1)C(=O)OCC)N2CCCC2 |
| InChIKey | NHWHXSZWPOOEPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate (CAS 5242-59-1), with molecular formula C19H30N2O3 and molecular weight 334.23 g/mol. IUPAC: ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate.
Chemical Property Profile of Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate
Property Insights of Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate. With a topological polar surface area (TPSA) of 49.9 Ų, Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate has 0 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 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate?
The CAS number of Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate is 5242-59-1.
What is the molecular formula of Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate?
The molecular formula of Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate is C19H30N2O3.
What is the molecular weight of Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate?
The molecular weight of Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate is 334.23 g/mol.
Where can I buy Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate?
You can request a quote for Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-oxooct-1-enyl)-4-pyrrolidin-1-yl-2,5-dihydropyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.