RefChem:1055129
TL;DR: RefChem:1055129 (CAS 112446-96-5) is a chemical compound with molecular formula C29H35ClN2O5 and molecular weight 526.22345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;4-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-cyclopentylphenyl)butan-1-one
Also Known As: 4-(4-(3-Chlorophenyl)-1-piperazinyl)-1-(4-cyclopentylphenyl)-1-butanone maleate, 1-Butanone, 4-(4-(3-chlorophenyl)-1-piperazinyl)-1-(4-cyclopentylphenyl)-, (Z)-2-butenedioate, (E)-but-2-enedioic acid; 4-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-cyclopentylphenyl)butan-1-one
Technical Specifications
| Molecular Formula | C29H35ClN2O5 |
| Molecular Weight | 526.22345 g/mol |
| XLogP | 5.4945 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.22345 Da |
| Heavy Atoms | 37 |
| Complexity | 624.0 |
| SMILES | C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.C(=C/C(=O)O)\C(=O)O |
| InChIKey | BALIISBVPDRULX-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1055129
Property Insights of RefChem:1055129
The XLogP value of 5.4945 indicates that RefChem:1055129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055129. Following Lipinski's Rule of Five, RefChem:1055129 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1055129?
The CAS number of RefChem:1055129 is 112446-96-5.
What is the molecular formula of RefChem:1055129?
The molecular formula of RefChem:1055129 is C29H35ClN2O5.
What is the molecular weight of RefChem:1055129?
The molecular weight of RefChem:1055129 is 526.22345 g/mol.
Where can I buy RefChem:1055129?
You can request a quote for RefChem:1055129 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1055129?
Yes, CoreyChem provides custom synthesis services for RefChem:1055129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.