Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate
TL;DR: Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate (CAS 1041098-83-2) is a chemical compound with molecular formula C25H28ClNO6 and molecular weight 473.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)pyrrolidine-2,4-dicarboxylate
Also Known As: Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate, Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)pyrrolidine-2,4-dicarboxylate, C25H28ClNO6
| Molecular Formula | C25H28ClNO6 |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 4.0558 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.16052 |
| Heavy Atoms | 33 |
| Complexity | 975.3966 |
Chemical Identifiers
| CAS Number | 1041098-83-2 |
|---|---|
| SMILES | CCOC(=O)C1C(C(NC1C2=CC=C(C=C2)Cl)C(=O)OCC)C3=CC=C(C=C3)C(=O)OCC |
Product Overview
Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate (CAS 1041098-83-2), with molecular formula C25H28ClNO6 and molecular weight 473.16 g/mol. IUPAC: diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)pyrrolidine-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate
Property Insights of Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate
The XLogP value of 4.0558 indicates that Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate has 1 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 Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate?
The CAS number of Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate is 1041098-83-2.
What is the molecular formula of Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate?
The molecular formula of Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate is C25H28ClNO6.
What is the molecular weight of Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate?
The molecular weight of Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate is 473.16 g/mol.
Where can I buy Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate?
You can request a quote for Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-(4-chlorophenyl)-3-(4-ethoxycarbonylphenyl)-2,4-pyrrolidinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.