![2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one structure](/static/products/879/879332-99-7.png)
2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one
TL;DR: 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one (CAS 879332-99-7) is a chemical compound with molecular formula C21H14F2N2O3S and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
Also Known As: 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one, 2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one, 2-[2-(3,4-difluorophenyl)-2-oxoethylthio]-3-(2-furylmethyl)-3-hydroquinazolin- 4-one
| Molecular Formula | C21H14F2N2O3S |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 4.291 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0693 |
| Heavy Atoms | 29 |
| Complexity | 1252.7588 |
Chemical Identifiers
| CAS Number | 879332-99-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC(=C(C=C3)F)F)CC4=CC=CO4 |
Product Overview
2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one (CAS 879332-99-7), with molecular formula C21H14F2N2O3S and molecular weight 412.07 g/mol. IUPAC: 2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one.
Chemical Property Profile of 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one
Property Insights of 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one
The XLogP value of 4.291 indicates that 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one has 0 hydrogen bond donor(s) and 5 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-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one?
The CAS number of 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one is 879332-99-7.
What is the molecular formula of 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one?
The molecular formula of 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one is C21H14F2N2O3S.
What is the molecular weight of 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one?
The molecular weight of 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one is 412.07 g/mol.
Where can I buy 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one?
You can request a quote for 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-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 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.