RefChem:1095881
TL;DR: RefChem:1095881 (CAS 113682-10-3) is a chemical compound with molecular formula C29H38N2O6 and molecular weight 510.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(4-cyclopentylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
Also Known As: 1-(4-Cyclopentylphenyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)piperazine maleate, Piperazine, 1-(4-cyclopentylphenyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-, (Z)-2-butenedioate, (E)-but-2-enedioic acid; 1-(4-cyclopentylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine, RefChem:1095881
| Molecular Formula | C29H38N2O6 |
|---|---|
| Molecular Weight | 510.27 g/mol |
| LogP | 4.4379 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.27298 |
| Heavy Atoms | 37 |
| Complexity | 1022.8624 |
Chemical Identifiers
| CAS Number | 113682-10-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=C(C=C3)C4CCCC4)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095881 (CAS 113682-10-3), with molecular formula C29H38N2O6 and molecular weight 510.27 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(4-cyclopentylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine.
Chemical Property Profile of RefChem:1095881
Property Insights of RefChem:1095881
The XLogP value of 4.4379 indicates that RefChem:1095881 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095881. Following Lipinski's Rule of Five, RefChem:1095881 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095881?
The CAS number of RefChem:1095881 is 113682-10-3.
What is the molecular formula of RefChem:1095881?
The molecular formula of RefChem:1095881 is C29H38N2O6.
What is the molecular weight of RefChem:1095881?
The molecular weight of RefChem:1095881 is 510.27 g/mol.
Where can I buy RefChem:1095881?
You can request a quote for RefChem:1095881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095881?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.