![3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one structure](/static/products/6892/689228-55-5.webp)
3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
TL;DR: 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one (CAS 689228-55-5) is a chemical compound with molecular formula C29H26BrN5O2S and molecular weight 587.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one
Also Known As: 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one, F0921-6781, 3-benzyl-2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one, 3-benzyl-2-(((7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl)thio)-6-(piperidin-1-yl)quinazolin-4(3H)-one, 3-benzyl-2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-6-piperidin-1-ylquinazolin-4(3H)-one
| Molecular Formula | C29H26BrN5O2S |
|---|---|
| Molecular Weight | 587.10 g/mol |
| LogP | 5.4978 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 587.09906 |
| Heavy Atoms | 38 |
| Complexity | 1746.3055 |
Chemical Identifiers
| CAS Number | 689228-55-5 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC(=O)N6C=C(C=CC6=N5)Br |
Product Overview
3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one (CAS 689228-55-5), with molecular formula C29H26BrN5O2S and molecular weight 587.10 g/mol. IUPAC: 3-benzyl-2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one.
Chemical Property Profile of 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
Property Insights of 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
The XLogP value of 5.4978 indicates that 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one has 0 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 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The CAS number of 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is 689228-55-5.
What is the molecular formula of 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is C29H26BrN5O2S.
What is the molecular weight of 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is 587.10 g/mol.
Where can I buy 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)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-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.