3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
TL;DR: 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone (CAS 889941-56-4) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-ethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone, 3-(3-ethylphenyl)-2-sulfanyl-3-hydroquinazolin-4-one, 3-(3-Ethylphenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C16H14N2OS |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.61069 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.08267 |
| Heavy Atoms | 20 |
| Complexity | 892.6077 |
Chemical Identifiers
| CAS Number | 889941-56-4 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone (CAS 889941-56-4), with molecular formula C16H14N2OS and molecular weight 282.08 g/mol. IUPAC: 3-(3-ethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
Property Insights of 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
The XLogP value of 3.61069 indicates that 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone has 1 hydrogen bond donor(s) and 2 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-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone?
The CAS number of 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone is 889941-56-4.
What is the molecular formula of 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone?
The molecular formula of 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone is C16H14N2OS.
What is the molecular weight of 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone?
The molecular weight of 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone is 282.08 g/mol.
Where can I buy 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone?
You can request a quote for 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Ethylphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.