RefChem:1095904
TL;DR: RefChem:1095904 (CAS 68351-30-4) is a chemical compound with molecular formula C25H28F2N2O4 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
Also Known As: 1-(7-Fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-naphthyl)-4-methylpiperazine maleate, Piperazine, 1-(7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine, RefChem:1095904
| Molecular Formula | C25H28F2N2O4 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 3.8908 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.20172 |
| Heavy Atoms | 33 |
| Complexity | 985.96655 |
Chemical Identifiers
| CAS Number | 68351-30-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095904 (CAS 68351-30-4), with molecular formula C25H28F2N2O4 and molecular weight 458.20 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine.
Chemical Property Profile of RefChem:1095904
Property Insights of RefChem:1095904
The XLogP value of 3.8908 indicates that RefChem:1095904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095904. Following Lipinski's Rule of Five, RefChem:1095904 has 2 hydrogen bond donor(s) and 4 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:1095904?
The CAS number of RefChem:1095904 is 68351-30-4.
What is the molecular formula of RefChem:1095904?
The molecular formula of RefChem:1095904 is C25H28F2N2O4.
What is the molecular weight of RefChem:1095904?
The molecular weight of RefChem:1095904 is 458.20 g/mol.
Where can I buy RefChem:1095904?
You can request a quote for RefChem:1095904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095904?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.