RefChem:1059560
TL;DR: RefChem:1059560 (CAS 4119-06-6) is a chemical compound with molecular formula C26H29ClN4O6 and molecular weight 528.18 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-[4-(4-phenylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione
Also Known As: 6-Chloro-3-(4-(4-phenyl-1-piperazinyl)butyl)-2,4(1H,3H)-quinazolinedione maleate, 2,4(1H,3H)-Quinazolinedione, 6-chloro-3-(4-(4-phenyl-1-piperazinyl)butyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 6-chloro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione, RefChem:1059560
| Molecular Formula | C26H29ClN4O6 |
|---|---|
| Molecular Weight | 528.18 g/mol |
| LogP | 2.6574 |
| Topological Polar Surface Area | 135.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.17755 |
| Heavy Atoms | 37 |
| Complexity | 1344.9797 |
Chemical Identifiers
| CAS Number | 4119-06-6 |
|---|---|
| SMILES | C1CN(CCN1CCCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1059560 (CAS 4119-06-6), with molecular formula C26H29ClN4O6 and molecular weight 528.18 g/mol. IUPAC: (E)-but-2-enedioic acid;6-chloro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione.
Chemical Property Profile of RefChem:1059560
Property Insights of RefChem:1059560
The XLogP value of 2.6574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1059560. The TPSA of 135.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1059560. Following Lipinski's Rule of Five, RefChem:1059560 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:1059560?
The CAS number of RefChem:1059560 is 4119-06-6.
What is the molecular formula of RefChem:1059560?
The molecular formula of RefChem:1059560 is C26H29ClN4O6.
What is the molecular weight of RefChem:1059560?
The molecular weight of RefChem:1059560 is 528.18 g/mol.
Where can I buy RefChem:1059560?
You can request a quote for RefChem:1059560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059560?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.