![3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one structure](/static/products/6892/689227-99-4.webp)
3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
TL;DR: 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one (CAS 689227-99-4) is a chemical compound with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one
Also Known As: 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one, F3168-1923, 3-benzyl-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one, 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio}-6-piperidin-1-ylquinazolin-4(3H)-one, 3-benzyl-2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-6-(1-piperidyl)quinazolin-4-one
| Molecular Formula | C28H27N3O4S |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 4.8213 |
| Topological Polar Surface Area | 95.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.17224 |
| Heavy Atoms | 36 |
| Complexity | 1463.3868 |
Chemical Identifiers
| CAS Number | 689227-99-4 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC(=C(C=C5)O)O |
Product Overview
3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one (CAS 689227-99-4), with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol. IUPAC: 3-benzyl-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one.
Chemical Property Profile of 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
Property Insights of 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
The XLogP value of 4.8213 indicates that 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-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. The TPSA of 95.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one has 2 hydrogen bond donor(s) and 7 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-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The CAS number of 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is 689227-99-4.
What is the molecular formula of 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is C28H27N3O4S.
What is the molecular weight of 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one is 501.17 g/mol.
Where can I buy 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-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-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-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.