4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)
TL;DR: 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) (CAS 4233-07-2) is a chemical compound with molecular formula C25H27ClN4O5S and molecular weight 530.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1), 3-(3-(4-m-Chlorophenyl-1-piperazinyl)propyl)-2-thio-4-oxo(1H,3H)quinazoline maleate, (Z)-but-2-enedioic acid; 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one, RefChem:1069081
| Molecular Formula | C25H27ClN4O5S |
|---|---|
| Molecular Weight | 530.14 g/mol |
| LogP | 3.63659 |
| Topological Polar Surface Area | 118.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.1391 |
| Heavy Atoms | 36 |
| Complexity | 1346.302 |
Chemical Identifiers
| CAS Number | 4233-07-2 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC(=CC=C4)Cl.C(=C\C(=O)O)\C(=O)O |
Product Overview
4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) (CAS 4233-07-2), with molecular formula C25H27ClN4O5S and molecular weight 530.14 g/mol. IUPAC: (Z)-but-2-enedioic acid;3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)
Property Insights of 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)
The XLogP value of 3.63659 indicates that 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) 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 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)?
The CAS number of 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) is 4233-07-2.
What is the molecular formula of 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)?
The molecular formula of 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) is C25H27ClN4O5S.
What is the molecular weight of 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)?
The molecular weight of 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) is 530.14 g/mol.
Where can I buy 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)?
You can request a quote for 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.