![2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone structure](/static/products/908/90852-30-5.png)
2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone
TL;DR: 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone (CAS 90852-30-5) is a chemical compound with molecular formula C16H13FN2OS and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-3-methylquinazolin-4-one
Also Known As: 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone, 2-[(2-fluorophenyl)methylsulfanyl]-3-methylquinazolin-4-one, 2-[(2-fluorobenzyl)thio]-3-methylquinazolin-4(3H)-one, A2120/0088985, 2-[(2-fluorophenyl)methylthio]-3-methyl-3-hydroquinazolin-4-one
| Molecular Formula | C16H13FN2OS |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.07327 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 90852-30-5 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3F |
| InChIKey | GGNWSSPSNMSDRH-UHFFFAOYSA-N |
Product Overview
2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone (CAS 90852-30-5), with molecular formula C16H13FN2OS and molecular weight 300.07 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-3-methylquinazolin-4-one.
Chemical Property Profile of 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone
Property Insights of 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone
The XLogP value of 3.4 indicates that 2-[(2-fluorobenzyl)sulfanyl]-3-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 58.0 Ų, 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone?
The CAS number of 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone is 90852-30-5.
What is the molecular formula of 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone?
The molecular formula of 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone is C16H13FN2OS.
What is the molecular weight of 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone?
The molecular weight of 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone is 300.07 g/mol.
Where can I buy 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone?
You can request a quote for 2-[(2-fluorobenzyl)sulfanyl]-3-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 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.