RefChem:1056644
TL;DR: RefChem:1056644 (CAS 40028-28-2) is a chemical compound with molecular formula C31H37N3O9 and molecular weight 595.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazin-1-yl]propanenitrile
Also Known As: 4-(1-(4-Methoxyphenyl)-3-phenylpropyl)-1-piperazinepropanenitrile dimaleate, 1-Piperazinepropanenitrile, 4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, (Z)-2-butenedioate (1:2), 1-(1-(4-Methoxyphenyl)-3-phenylpropyl)-4-(2-cyanoethyl)piperazine di(hydrogen maleate), (E)-but-2-enedioic acid; 3-[4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazin-1-yl]propanenitrile, RefChem:1056644
| Molecular Formula | C31H37N3O9 |
|---|---|
| Molecular Weight | 595.25 g/mol |
| LogP | 3.32398 |
| Topological Polar Surface Area | 188.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 595.253 |
| Heavy Atoms | 43 |
| Complexity | 1181.5145 |
Chemical Identifiers
| CAS Number | 40028-28-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(N2CCN(CC2)CCC#N)CCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056644 (CAS 40028-28-2), with molecular formula C31H37N3O9 and molecular weight 595.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of RefChem:1056644
Property Insights of RefChem:1056644
The XLogP value of 3.32398 indicates that RefChem:1056644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.7 Ų indicates high polarity, suggesting RefChem:1056644 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056644 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056644?
The CAS number of RefChem:1056644 is 40028-28-2.
What is the molecular formula of RefChem:1056644?
The molecular formula of RefChem:1056644 is C31H37N3O9.
What is the molecular weight of RefChem:1056644?
The molecular weight of RefChem:1056644 is 595.25 g/mol.
Where can I buy RefChem:1056644?
You can request a quote for RefChem:1056644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.