![3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone structure](/static/products/866/866010-89-1.png)
3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone
TL;DR: 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone (CAS 866010-89-1) is a chemical compound with molecular formula C22H17ClN2OS and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one
Also Known As: 3-benzyl-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one, 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone, 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-3,4-dihydroquinazolin-4-one
| Molecular Formula | C22H17ClN2OS |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 5.3905 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.075 |
| Heavy Atoms | 27 |
| Complexity | 1124.5815 |
Chemical Identifiers
| CAS Number | 866010-89-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)CSC4=CC=C(C=C4)Cl |
Product Overview
3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone (CAS 866010-89-1), with molecular formula C22H17ClN2OS and molecular weight 392.07 g/mol. IUPAC: 3-benzyl-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one.
Chemical Property Profile of 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone
Property Insights of 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone
The XLogP value of 5.3905 indicates that 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 3 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-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
The CAS number of 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone is 866010-89-1.
What is the molecular formula of 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
The molecular formula of 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone is C22H17ClN2OS.
What is the molecular weight of 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
The molecular weight of 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone is 392.07 g/mol.
Where can I buy 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
You can request a quote for 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone 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-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.