RefChem:1056630
TL;DR: RefChem:1056630 (CAS 37652-68-9) is a chemical compound with molecular formula C25H31N3O5 and molecular weight 453.23 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]propanamide;(E)-but-2-enedioic acid
Also Known As: 4-((2-(Phenylmethyl)phenyl)methyl)-1-piperazinepropanamide maleate, 1-Piperazinepropanamide, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:1), 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propanamide; (E)-but-2-enedioic acid, RefChem:1056630
| Molecular Formula | C25H31N3O5 |
|---|---|
| Molecular Weight | 453.23 g/mol |
| LogP | 1.9822 |
| Topological Polar Surface Area | 124.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.22638 |
| Heavy Atoms | 33 |
| Complexity | 922.06836 |
Chemical Identifiers
| CAS Number | 37652-68-9 |
|---|---|
| SMILES | C1CN(CCN1CCC(=O)N)CC2=CC=CC=C2CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056630 (CAS 37652-68-9), with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol. IUPAC: 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propanamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1056630
Property Insights of RefChem:1056630
The XLogP value of 1.9822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056630. The TPSA of 124.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056630. Following Lipinski's Rule of Five, RefChem:1056630 has 3 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:1056630?
The CAS number of RefChem:1056630 is 37652-68-9.
What is the molecular formula of RefChem:1056630?
The molecular formula of RefChem:1056630 is C25H31N3O5.
What is the molecular weight of RefChem:1056630?
The molecular weight of RefChem:1056630 is 453.23 g/mol.
Where can I buy RefChem:1056630?
You can request a quote for RefChem:1056630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056630?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.