RefChem:1059558
TL;DR: RefChem:1059558 (CAS 4052-20-4) is a chemical compound with molecular formula C25H26Cl2N4O6 and molecular weight 548.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;6-chloro-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
Also Known As: 6-Chloro-3-(3-(4-p-chlorophenyl-1-piperazinyl)propyl)-2,4(1H,3H)-quinazolinedione maleate, 2,4(1H,3H)-Quinazolinedione, 6-chloro-3-(3-(4-(4-chlorophenyl)-1-piperazinyl)propyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 6-chloro-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione, RefChem:1059558
| Molecular Formula | C25H26Cl2N4O6 |
|---|---|
| Molecular Weight | 548.12 g/mol |
| LogP | 2.9207 |
| Topological Polar Surface Area | 135.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.1229 |
| Heavy Atoms | 37 |
| Complexity | 1377.0427 |
Chemical Identifiers
| CAS Number | 4052-20-4 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1059558 (CAS 4052-20-4), with molecular formula C25H26Cl2N4O6 and molecular weight 548.12 g/mol. IUPAC: (E)-but-2-enedioic acid;6-chloro-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione.
Chemical Property Profile of RefChem:1059558
Property Insights of RefChem:1059558
The XLogP value of 2.9207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1059558. The TPSA of 135.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1059558. Following Lipinski's Rule of Five, RefChem:1059558 has 3 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:1059558?
The CAS number of RefChem:1059558 is 4052-20-4.
What is the molecular formula of RefChem:1059558?
The molecular formula of RefChem:1059558 is C25H26Cl2N4O6.
What is the molecular weight of RefChem:1059558?
The molecular weight of RefChem:1059558 is 548.12 g/mol.
Where can I buy RefChem:1059558?
You can request a quote for RefChem:1059558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059558?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.