RefChem:1088259
TL;DR: RefChem:1088259 (CAS 59749-44-9) is a chemical compound with molecular formula C20H25ClN2O7 and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl (2S)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
Also Known As: Maleate de N-(p-chlorobenzyl)pyroglutamate de dimethylaminoethyle [French], L-Proline, 1-((4-chlorophenyl)methyl)-5-oxo-, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1), Maleate de N-(p-chlorobenzyl)pyroglutamate de dimethylaminoethyle, (E)-but-2-enedioic acid; 2-dimethylaminoethyl (2S)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate, RefChem:1088259
| Molecular Formula | C20H25ClN2O7 |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 1.6476 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.13504 |
| Heavy Atoms | 30 |
| Complexity | 761.86456 |
Chemical Identifiers
| CAS Number | 59749-44-9 |
|---|---|
| SMILES | CN(C)CCOC(=O)[C@@H]1CCC(=O)N1CC2=CC=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1088259 (CAS 59749-44-9), with molecular formula C20H25ClN2O7 and molecular weight 440.14 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl (2S)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of RefChem:1088259
Property Insights of RefChem:1088259
The XLogP value of 1.6476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1088259. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1088259. Following Lipinski's Rule of Five, RefChem:1088259 has 2 hydrogen bond donor(s) and 6 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 RefChem:1088259?
The CAS number of RefChem:1088259 is 59749-44-9.
What is the molecular formula of RefChem:1088259?
The molecular formula of RefChem:1088259 is C20H25ClN2O7.
What is the molecular weight of RefChem:1088259?
The molecular weight of RefChem:1088259 is 440.14 g/mol.
Where can I buy RefChem:1088259?
You can request a quote for RefChem:1088259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088259?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.