![3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one structure](/static/products/6892/689227-97-2.webp)
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
TL;DR: 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one (CAS 689227-97-2) is a chemical compound with molecular formula C28H26BrN3O2S and molecular weight 547.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one
Also Known As: 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one, F3168-1921, 3-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one, 3-benzyl-2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-(piperidin-1-yl)quinazolin-4(3H)-one, 3-benzyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-(1-piperidyl)quinazolin-4-one
| Molecular Formula | C28H26BrN3O2S |
|---|---|
| Molecular Weight | 547.09 g/mol |
| LogP | 6.1726 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.0929 |
| Heavy Atoms | 35 |
| Complexity | 1397.9061 |
Chemical Identifiers
| CAS Number | 689227-97-2 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br |
Product Overview
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one (CAS 689227-97-2), with molecular formula C28H26BrN3O2S and molecular weight 547.09 g/mol. IUPAC: 3-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one.
Chemical Property Profile of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
Property Insights of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
The XLogP value of 6.1726 indicates that 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The CAS number of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is 689227-97-2.
What is the molecular formula of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is C28H26BrN3O2S.
What is the molecular weight of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is 547.09 g/mol.
Where can I buy 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.