RefChem:1056643
TL;DR: RefChem:1056643 (CAS 37652-66-7) is a chemical compound with molecular formula C25H29N3O4 and molecular weight 435.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propanenitrile;(E)-but-2-enedioic acid
Also Known As: 1-(2-Benzylbenzyl)-4-(2-cyanoethyl)piperazine maleate, 1-Piperazinepropanenitrile, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:1), 4-((2-(Phenylmethyl)phenyl)methyl)-1-piperazinepropanenitrile maleate, 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propanenitrile; (E)-but-2-enedioic acid, RefChem:1056643
| Molecular Formula | C25H29N3O4 |
|---|---|
| Molecular Weight | 435.22 g/mol |
| LogP | 3.02048 |
| Topological Polar Surface Area | 104.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.21582 |
| Heavy Atoms | 32 |
| Complexity | 913.70325 |
Chemical Identifiers
| CAS Number | 37652-66-7 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)CC2=CC=CC=C2CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056643 (CAS 37652-66-7), with molecular formula C25H29N3O4 and molecular weight 435.22 g/mol. IUPAC: 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propanenitrile;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1056643
Property Insights of RefChem:1056643
The XLogP value of 3.02048 indicates that RefChem:1056643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056643. Following Lipinski's Rule of Five, RefChem:1056643 has 2 hydrogen bond donor(s) and 5 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:1056643?
The CAS number of RefChem:1056643 is 37652-66-7.
What is the molecular formula of RefChem:1056643?
The molecular formula of RefChem:1056643 is C25H29N3O4.
What is the molecular weight of RefChem:1056643?
The molecular weight of RefChem:1056643 is 435.22 g/mol.
Where can I buy RefChem:1056643?
You can request a quote for RefChem:1056643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056643?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.