RefChem:1058750
TL;DR: RefChem:1058750 (CAS 124500-21-6) is a chemical compound with molecular formula C20H24ClNO6 and molecular weight 409.1292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;5-(4-chlorophenyl)-3-(piperidin-1-ylmethyl)oxolan-2-one
Also Known As: Dihydro-5-(4-chlorophenyl)-3-(1-piperidinylmethyl)-2(3H)-furanone (Z)-2-butenedioate (1:1), 2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 5-(4-chlorophenyl)-3-(piperidin-1-ylmethyl)oxolan-2-one
Technical Specifications
| Molecular Formula | C20H24ClNO6 |
| Molecular Weight | 409.1292 g/mol |
| XLogP | 3.1419 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.1292 Da |
| Heavy Atoms | 28 |
| Complexity | 454.0 |
| SMILES | C1CCN(CC1)CC2CC(OC2=O)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O |
| InChIKey | OERSGNCEUKFQNH-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1058750
Property Insights of RefChem:1058750
The XLogP value of 3.1419 indicates that RefChem:1058750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058750. Following Lipinski's Rule of Five, RefChem:1058750 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1058750?
The CAS number of RefChem:1058750 is 124500-21-6.
What is the molecular formula of RefChem:1058750?
The molecular formula of RefChem:1058750 is C20H24ClNO6.
What is the molecular weight of RefChem:1058750?
The molecular weight of RefChem:1058750 is 409.1292 g/mol.
Where can I buy RefChem:1058750?
You can request a quote for RefChem:1058750 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058750?
Yes, CoreyChem provides custom synthesis services for RefChem:1058750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.