3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one
TL;DR: 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one (CAS 1042-99-5) is a chemical compound with molecular formula C18H15BrN2OS and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
Also Known As: 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one, 3-(4-bromophenyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one, 3-(4-BROMOPHENYL)-2-((2-METHYL-2-PROPENYL)THIO)-4(3H)-QUINAZOLINONE, 3-(4-bromophenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,4-dihydroquinazolin-4-one, 3-(4-bromophenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]quinazolin-4(3H)-one
| Molecular Formula | C18H15BrN2OS |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 4.8164 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.00885 |
| Heavy Atoms | 23 |
| Complexity | 931.8996 |
Chemical Identifiers
| CAS Number | 1042-99-5 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br |
Product Overview
3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one (CAS 1042-99-5), with molecular formula C18H15BrN2OS and molecular weight 386.01 g/mol. IUPAC: 3-(4-bromophenyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one.
Chemical Property Profile of 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one
Property Insights of 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one
The XLogP value of 4.8164 indicates that 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-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-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-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 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one?
The CAS number of 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one is 1042-99-5.
What is the molecular formula of 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one?
The molecular formula of 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one is C18H15BrN2OS.
What is the molecular weight of 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one?
The molecular weight of 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one is 386.01 g/mol.
Where can I buy 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one?
You can request a quote for 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-2-((2-methylallyl)thio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.