![3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone structure](/static/products/866/866010-87-9.png)
3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone
TL;DR: 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone (CAS 866010-87-9) is a chemical compound with molecular formula C26H25ClN2OS and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one
Also Known As: 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone, 3-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one, 3-[(4-tert-butylphenyl)methyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-3,4-dihydroquinazolin-4-one
| Molecular Formula | C26H25ClN2OS |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 6.688 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.1376 |
| Heavy Atoms | 31 |
| Complexity | 1256.068 |
Chemical Identifiers
| CAS Number | 866010-87-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)CSC4=CC=C(C=C4)Cl |
Product Overview
3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone (CAS 866010-87-9), with molecular formula C26H25ClN2OS and molecular weight 448.14 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]quinazolin-4-one.
Chemical Property Profile of 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone
Property Insights of 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone
The XLogP value of 6.688 indicates that 3-[4-(tert-butyl)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-[4-(tert-butyl)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-[4-(tert-butyl)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-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
The CAS number of 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone is 866010-87-9.
What is the molecular formula of 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
The molecular formula of 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone is C26H25ClN2OS.
What is the molecular weight of 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
The molecular weight of 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone is 448.14 g/mol.
Where can I buy 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
You can request a quote for 3-[4-(tert-butyl)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-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(tert-butyl)benzyl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.