RefChem:1056590
TL;DR: RefChem:1056590 (CAS 156809-98-2) is a chemical compound with molecular formula C29H31FN2O5 and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-[[3-(4-fluorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
Also Known As: 2-(4-Benzhydrylpiperazine-1-yl)-1-(4-fluorophenyl)ethanol fumarate, 1-Piperazineethanol, 4-(diphenylmethyl)-alpha-(4-fluorophenyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-[4-[[3-(4-fluorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol, RefChem:1056590
| Molecular Formula | C29H31FN2O5 |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | 3.9038 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.2217 |
| Heavy Atoms | 37 |
| Complexity | 1160.4161 |
Chemical Identifiers
| CAS Number | 156809-98-2 |
|---|---|
| SMILES | C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056590 (CAS 156809-98-2), with molecular formula C29H31FN2O5 and molecular weight 506.22 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-[[3-(4-fluorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1056590
Property Insights of RefChem:1056590
The XLogP value of 3.9038 indicates that RefChem:1056590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056590. Following Lipinski's Rule of Five, RefChem:1056590 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056590?
The CAS number of RefChem:1056590 is 156809-98-2.
What is the molecular formula of RefChem:1056590?
The molecular formula of RefChem:1056590 is C29H31FN2O5.
What is the molecular weight of RefChem:1056590?
The molecular weight of RefChem:1056590 is 506.22 g/mol.
Where can I buy RefChem:1056590?
You can request a quote for RefChem:1056590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056590?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.