RefChem:1094756
TL;DR: RefChem:1094756 (CAS 4071-31-2) is a chemical compound with molecular formula C29H30FNO4 and molecular weight 475.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;(Z)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine
Also Known As: N-(4-(p-Fluorophenyl)-4-phenyl-3-butenyl)-N-methyl-phenethylamine maleate, Phenethylamine, N-(4-(p-fluorophenyl)-4-phenyl-3-butenyl)-N-methyl-, maleate (1:1), 1-(4-Fluorophenyl)-1-phenyl-4-(N-phenethyl-N-methylamino)-1-butene maleate, (Z)-but-2-enedioic acid; (Z)-4-(4-fluorophenyl)-N-methyl-N-phenethyl-4-phenylbut-3-en-1-amine, RefChem:1094756
| Molecular Formula | C29H30FNO4 |
|---|---|
| Molecular Weight | 475.22 g/mol |
| LogP | 5.5338 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.21588 |
| Heavy Atoms | 35 |
| Complexity | 1094.4384 |
Chemical Identifiers
| CAS Number | 4071-31-2 |
|---|---|
| SMILES | CN(CC/C=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)F)CCC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1094756 (CAS 4071-31-2), with molecular formula C29H30FNO4 and molecular weight 475.22 g/mol. IUPAC: (Z)-but-2-enedioic acid;(Z)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine.
Chemical Property Profile of RefChem:1094756
Property Insights of RefChem:1094756
The XLogP value of 5.5338 indicates that RefChem:1094756 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1094756. Following Lipinski's Rule of Five, RefChem:1094756 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1094756?
The CAS number of RefChem:1094756 is 4071-31-2.
What is the molecular formula of RefChem:1094756?
The molecular formula of RefChem:1094756 is C29H30FNO4.
What is the molecular weight of RefChem:1094756?
The molecular weight of RefChem:1094756 is 475.22 g/mol.
Where can I buy RefChem:1094756?
You can request a quote for RefChem:1094756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094756?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.