Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate
TL;DR: Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate (CAS 745043-75-8) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-methylphenyl)-4-oxopyrrolidine-3-carboxylate
Also Known As: ChemDiv2_001557, CHEMBRDG-BB7521800, CHEMBRDG-BB 7521800, ETHYL 1-(4-METHYLPHENYL)-4-OXO-3-PYRROLIDINECARBOXYLATE, ethyl 1-(4-methylphenyl)-4-oxopyrrolidine-3-carboxylate
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.56342 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 452.61185 |
Chemical Identifiers
| CAS Number | 745043-75-8 |
|---|---|
| SMILES | CCOC(=O)C1CN(CC1=O)C2=CC=C(C=C2)C |
Product Overview
Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate (CAS 745043-75-8), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: ethyl 1-(4-methylphenyl)-4-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate
Property Insights of Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate
The XLogP value of 1.56342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate 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 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate?
The CAS number of Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate is 745043-75-8.
What is the molecular formula of Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate?
The molecular formula of Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate is C14H17NO3.
What is the molecular weight of Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate?
The molecular weight of Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate is 247.12 g/mol.
Where can I buy Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate?
You can request a quote for Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-methylphenyl)-4-oxo-3-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.