![3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one structure](/static/products/3853/385375-18-8.webp)
3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one
TL;DR: 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one (CAS 385375-18-8) is a chemical compound with molecular formula C22H15ClF2N2OS and molecular weight 428.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: AO-080/41280650, 3-benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one, 3-benzyl-2-[(2-chloro-4,5-difluorobenzyl)sulfanyl]-4(3H)-quinazolinone, 3-benzyl-2-[(2-chloro-4,5-difluorobenzyl)sulfanyl]quinazolin-4(3H)-one, 3-benzyl-2-[(2-chloro-4,5-difluorobenzyl)thio]quinazolin-4(3H)-one
| Molecular Formula | C22H15ClF2N2OS |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 5.6687 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.05618 |
| Heavy Atoms | 29 |
| Complexity | 1244.9918 |
Chemical Identifiers
| CAS Number | 385375-18-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4Cl)F)F |
Product Overview
3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one (CAS 385375-18-8), with molecular formula C22H15ClF2N2OS and molecular weight 428.06 g/mol. IUPAC: 3-benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one
Property Insights of 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one
The XLogP value of 5.6687 indicates that 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one 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-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one 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-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one?
The CAS number of 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one is 385375-18-8.
What is the molecular formula of 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one?
The molecular formula of 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one is C22H15ClF2N2OS.
What is the molecular weight of 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one?
The molecular weight of 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one is 428.06 g/mol.
Where can I buy 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one?
You can request a quote for 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-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-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.