RefChem:1056651
TL;DR: RefChem:1056651 (CAS 57536-99-9) is a chemical compound with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;methyl 3-(4-naphthalen-1-ylpiperazin-1-yl)propanoate
Also Known As: 1-(2-Methoxycarbonylethyl)-4-(1-naphthyl)piperazine maleate, 4-(1-Naphthalenyl)-1-piperazinepropanoic acid methyl ester maleate, 1-Piperazinepropanoic acid, 4-(1-naphthalenyl)-, methyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; methyl 3-(4-naphthalen-1-ylpiperazin-1-yl)propanoate, RefChem:1056651
| Molecular Formula | C22H26N2O6 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 2.2367 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.17908 |
| Heavy Atoms | 30 |
| Complexity | 882.1408 |
Chemical Identifiers
| CAS Number | 57536-99-9 |
|---|---|
| SMILES | COC(=O)CCN1CCN(CC1)C2=CC=CC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056651 (CAS 57536-99-9), with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol. IUPAC: (E)-but-2-enedioic acid;methyl 3-(4-naphthalen-1-ylpiperazin-1-yl)propanoate.
Chemical Property Profile of RefChem:1056651
Property Insights of RefChem:1056651
The XLogP value of 2.2367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056651. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056651. Following Lipinski's Rule of Five, RefChem:1056651 has 2 hydrogen bond donor(s) and 6 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:1056651?
The CAS number of RefChem:1056651 is 57536-99-9.
What is the molecular formula of RefChem:1056651?
The molecular formula of RefChem:1056651 is C22H26N2O6.
What is the molecular weight of RefChem:1056651?
The molecular weight of RefChem:1056651 is 414.18 g/mol.
Where can I buy RefChem:1056651?
You can request a quote for RefChem:1056651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056651?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.