RefChem:1055130
TL;DR: RefChem:1055130 (CAS 113682-12-5) is a chemical compound with molecular formula C29H35FN2O5 and molecular weight 510.253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;4-[4-(4-cyclopentylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
Also Known As: Butyrophenone, 4-(4-(p-cyclopentylphenyl)-1-piperazinyl)-4'-fluoro-, maleate, 1-Butanone, 4-(4-(4-cyclopentylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-, (Z)-2-butenedioate, 4-(4-(4-Cyclopentylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)butan-1-one maleate, (E)-but-2-enedioic acid; 4-[4-(4-cyclopentylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
Technical Specifications
| Molecular Formula | C29H35FN2O5 |
| Molecular Weight | 510.253 g/mol |
| XLogP | 4.9802 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.253 Da |
| Heavy Atoms | 37 |
| Complexity | 616.0 |
| SMILES | C1CCC(C1)C2=CC=C(C=C2)N3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O |
| InChIKey | LAEIAGBGFLJNBY-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1055130
Property Insights of RefChem:1055130
The XLogP value of 4.9802 indicates that RefChem:1055130 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:1055130. Following Lipinski's Rule of Five, RefChem:1055130 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1055130?
The CAS number of RefChem:1055130 is 113682-12-5.
What is the molecular formula of RefChem:1055130?
The molecular formula of RefChem:1055130 is C29H35FN2O5.
What is the molecular weight of RefChem:1055130?
The molecular weight of RefChem:1055130 is 510.253 g/mol.
Where can I buy RefChem:1055130?
You can request a quote for RefChem:1055130 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1055130?
Yes, CoreyChem provides custom synthesis services for RefChem:1055130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.