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2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one
TL;DR: 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one (CAS 401827-52-9) is a chemical compound with molecular formula C16H13BrN2OS and molecular weight 359.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one
Also Known As: 2-[(2-bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one, 2-[(2-bromobenzyl)thio]-3-methyl-4(3H)-quinazolinone, 2-[(2-bromobenzyl)thio]-3-methylquinazolin-4(3H)-one
| Molecular Formula | C16H13BrN2OS |
|---|---|
| Molecular Weight | 359.99 g/mol |
| LogP | 3.9883 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.9932 |
| Heavy Atoms | 21 |
| Complexity | 860.2651 |
Chemical Identifiers
| CAS Number | 401827-52-9 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3Br |
Product Overview
2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one (CAS 401827-52-9), with molecular formula C16H13BrN2OS and molecular weight 359.99 g/mol. IUPAC: 2-[(2-bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one.
Chemical Property Profile of 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one
Property Insights of 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one
The XLogP value of 3.9883 indicates that 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-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, 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one has 0 hydrogen bond donor(s) and 3 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-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one?
The CAS number of 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one is 401827-52-9.
What is the molecular formula of 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one?
The molecular formula of 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one is C16H13BrN2OS.
What is the molecular weight of 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one?
The molecular weight of 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one is 359.99 g/mol.
Where can I buy 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one?
You can request a quote for 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.