RefChem:1052149
TL;DR: RefChem:1052149 (CAS 113682-11-4) is a chemical compound with molecular formula C27H34N2O6 and molecular weight 482.2417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;4-[2-[4-(4-cyclopentylphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
Also Known As: 1-(4-Cyclopentylphenyl)-4-(2-(3,4-dihydroxyphenyl)ethyl)piperazine maleate, 1,2-Benzenediol, 4-(2-(4-(4-cyclopentylphenyl)-1-piperazinyl)ethyl)-, (Z)-2-butenedioate (1:1) (salt), 1-(4-cyclopentylphenyl)-4-[2-(3,4-dihydroxyphenyl)ethyl]piperazine maleate, (E)-but-2-enedioic acid; 4-[2-[4-(4-cyclopentylphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
Technical Specifications
| Molecular Formula | C27H34N2O6 |
| Molecular Weight | 482.2417 g/mol |
| XLogP | 3.8319 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.2417 Da |
| Heavy Atoms | 35 |
| Complexity | 557.0 |
| SMILES | C1CCC(C1)C2=CC=C(C=C2)N3CCN(CC3)CCC4=CC(=C(C=C4)O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | QPWWZCMEBZSOAS-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1052149
Property Insights of RefChem:1052149
The XLogP value of 3.8319 indicates that RefChem:1052149 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052149. Following Lipinski's Rule of Five, RefChem:1052149 has 4 hydrogen bond donor(s) and 8 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:1052149?
The CAS number of RefChem:1052149 is 113682-11-4.
What is the molecular formula of RefChem:1052149?
The molecular formula of RefChem:1052149 is C27H34N2O6.
What is the molecular weight of RefChem:1052149?
The molecular weight of RefChem:1052149 is 482.2417 g/mol.
Where can I buy RefChem:1052149?
You can request a quote for RefChem:1052149 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1052149?
Yes, CoreyChem provides custom synthesis services for RefChem:1052149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.