![4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate structure](/static/products/836/836662-86-3.png)
4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate
TL;DR: 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate (CAS 836662-86-3) is a chemical compound with molecular formula C22H22ClNO5 and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl 5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
Also Known As: (4-chlorophenyl)methyl 5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate, 4-chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate, 4-chlorobenzyl 5-oxo-1-{4-[(propan-2-yloxy)carbonyl]phenyl}pyrrolidine-3-carboxylate, 4-chlorobenzyl 1-(4-(isopropoxycarbonyl)phenyl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C22H22ClNO5 |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 4.0015 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.11865 |
| Heavy Atoms | 29 |
| Complexity | 892.4236 |
Chemical Identifiers
| CAS Number | 836662-86-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC=C(C=C3)Cl |
Product Overview
4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate (CAS 836662-86-3), with molecular formula C22H22ClNO5 and molecular weight 415.12 g/mol. IUPAC: (4-chlorophenyl)methyl 5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate.
Chemical Property Profile of 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate
Property Insights of 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate
The XLogP value of 4.0015 indicates that 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate has 0 hydrogen bond donor(s) and 5 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 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate?
The CAS number of 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate is 836662-86-3.
What is the molecular formula of 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate?
The molecular formula of 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate is C22H22ClNO5.
What is the molecular weight of 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate?
The molecular weight of 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate is 415.12 g/mol.
Where can I buy 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate?
You can request a quote for 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-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 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 1-[4-(isopropoxycarbonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.