Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
TL;DR: Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate (CAS 91396-04-2) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate, BAS 00447852, BIM-0003998.P001, methyl 1-(4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylate, methyl1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C12H12ClNO3 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 1.8659 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.05057 |
| Heavy Atoms | 17 |
| Complexity | 443.56888 |
Chemical Identifiers
| CAS Number | 91396-04-2 |
|---|---|
| SMILES | COC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Cl |
Product Overview
Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate (CAS 91396-04-2), with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol. IUPAC: methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
Property Insights of Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 1.8659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate 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-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is 91396-04-2.
What is the molecular formula of Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is C12H12ClNO3.
What is the molecular weight of Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is 253.05 g/mol.
Where can I buy Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate 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-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.