LR 19731
TL;DR: LR 19731 (CAS 71923-34-7) is a chemical compound with molecular formula C21H21ClN2O3 and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
Also Known As: Clodoxopone, Clodoxopona, Clodoxoponum, Clodoxopone [INN], Clodoxoponum [INN-Latin]
| Molecular Formula | C21H21ClN2O3 |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.12408 |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 71923-34-7 |
|---|---|
| SMILES | C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
| InChIKey | QPIRWBYRKYGHDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
LR 19731 (CAS 71923-34-7), with molecular formula C21H21ClN2O3 and molecular weight 384.12 g/mol. IUPAC: 4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one.
Chemical Property Profile of LR 19731
Property Insights of LR 19731
The XLogP value of 4.5 indicates that LR 19731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, LR 19731 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LR 19731 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 LR 19731?
The CAS number of LR 19731 is 71923-34-7.
What is the molecular formula of LR 19731?
The molecular formula of LR 19731 is C21H21ClN2O3.
What is the molecular weight of LR 19731?
The molecular weight of LR 19731 is 384.12 g/mol.
Where can I buy LR 19731?
You can request a quote for LR 19731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LR 19731?
Yes, KEHONG BIO provides custom synthesis services for LR 19731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.