![6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one structure](/static/products/422/422287-46-5.png)
6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
TL;DR: 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one (CAS 422287-46-5) is a chemical compound with molecular formula C26H29BrN4O2S and molecular weight 540.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one, 6-bromo-3-{[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-bromo-3-{4-[(4-cyclohexylpiperazin-1-yl)carbonyl]benzyl}-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-bromo-3-[4-(4-cyclohexylpiperazine-1-carbonyl)benzyl]-2-thioxo-1H-quinazolin-4-one, 6-bromanyl-3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C26H29BrN4O2S |
|---|---|
| Molecular Weight | 540.12 g/mol |
| LogP | 4.96039 |
| Topological Polar Surface Area | 61.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.11945 |
| Heavy Atoms | 34 |
| Complexity | 1303.1106 |
Chemical Identifiers
| CAS Number | 422287-46-5 |
|---|---|
| SMILES | C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S |
Product Overview
6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one (CAS 422287-46-5), with molecular formula C26H29BrN4O2S and molecular weight 540.12 g/mol. IUPAC: 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
Property Insights of 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
The XLogP value of 4.96039 indicates that 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one. Following Lipinski's Rule of Five, 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one?
The CAS number of 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one is 422287-46-5.
What is the molecular formula of 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one?
The molecular formula of 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one is C26H29BrN4O2S.
What is the molecular weight of 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one?
The molecular weight of 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one is 540.12 g/mol.
Where can I buy 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one?
You can request a quote for 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.