Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
TL;DR: Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate (CAS 160693-53-8) 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.
methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate, CAS 160693-53-8, BAS 01172059, Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate, methyl1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.7749 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 452.61185 |
Chemical Identifiers
| CAS Number | 160693-53-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC |
Product Overview
Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate (CAS 160693-53-8), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
Property Insights of Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
The XLogP value of 1.7749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate has 0 hydrogen bond donor(s) and 3 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 Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
The CAS number of Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate is 160693-53-8.
What is the molecular formula of Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
The molecular formula of Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate is C14H17NO3.
What is the molecular weight of Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
The molecular weight of Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate is 247.12 g/mol.
Where can I buy Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
You can request a quote for Methyl 1-(4-ethylphenyl)-5-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 Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.