6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 403727-56-0) is a chemical compound with molecular formula C13H9BrN2O2S and molecular weight 335.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 6-bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 6-bromo-3-(2-furylmethyl)-2-mercaptoquinazolin-4(3H)-one, 6-bromo-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one, 6-bromo-3-[(furan-2-yl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
| Molecular Formula | C13H9BrN2O2S |
|---|---|
| Molecular Weight | 335.96 g/mol |
| LogP | 3.46289 |
| Topological Polar Surface Area | 50.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.95682 |
| Heavy Atoms | 19 |
| Complexity | 849.196 |
Chemical Identifiers
| CAS Number | 403727-56-0 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 403727-56-0), with molecular formula C13H9BrN2O2S and molecular weight 335.96 g/mol. IUPAC: 6-bromo-3-(furan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 3.46289 indicates that 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.93 Ų, 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one has 1 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 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 403727-56-0.
What is the molecular formula of 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is C13H9BrN2O2S.
What is the molecular weight of 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 335.96 g/mol.
Where can I buy 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-(furan-2-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.