RefChem:1055116
TL;DR: RefChem:1055116 (CAS 57537-18-5) is a chemical compound with molecular formula C28H33FN2O5 and molecular weight 496.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-(4-fluorophenyl)-4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]butan-1-one
Also Known As: 4-(3-(4-Fluorobenzoyl)propyl)-1-(6-tetralyl)piperazine maleate, 1-Butanone, 1-(4-fluorophenyl)-4-(4-(5,6,7,8-tetrahydro-2-naphthalenyl)-1-piperazinyl)-, (Z)-2-butenedioate (1:1), 1-BUTANONE, 1-(4-FLUOROPHENYL)-4-(4-(5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)-1-PIPERA, (Z)-but-2-enedioic acid; 1-(4-fluorophenyl)-4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]butan-1-one, RefChem:1055116
| Molecular Formula | C28H33FN2O5 |
|---|---|
| Molecular Weight | 496.24 g/mol |
| LogP | 4.2014 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.23734 |
| Heavy Atoms | 36 |
| Complexity | 1059.8477 |
Chemical Identifiers
| CAS Number | 57537-18-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)N3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1055116 (CAS 57537-18-5), with molecular formula C28H33FN2O5 and molecular weight 496.24 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(4-fluorophenyl)-4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]butan-1-one.
Chemical Property Profile of RefChem:1055116
Property Insights of RefChem:1055116
The XLogP value of 4.2014 indicates that RefChem:1055116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055116. Following Lipinski's Rule of Five, RefChem:1055116 has 2 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 RefChem:1055116?
The CAS number of RefChem:1055116 is 57537-18-5.
What is the molecular formula of RefChem:1055116?
The molecular formula of RefChem:1055116 is C28H33FN2O5.
What is the molecular weight of RefChem:1055116?
The molecular weight of RefChem:1055116 is 496.24 g/mol.
Where can I buy RefChem:1055116?
You can request a quote for RefChem:1055116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055116?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.