3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one
TL;DR: 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one (CAS 714280-70-3) is a chemical compound with molecular formula C18H15IN2O2S and molecular weight 449.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one
Also Known As: 3-ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one, 3-ethyl-6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-4(3H)-quinazolinone, AO-022/43024915, 3-ethyl-6-iodo-2-phenacylsulfanyl-quinazolin-4-one, 3-ethyl-6-iodo-2-((2-oxo-2-phenylethyl)thio)quinazolin-4(3H)-one
| Molecular Formula | C18H15IN2O2S |
|---|---|
| Molecular Weight | 449.99 g/mol |
| LogP | 3.996 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.9899 |
| Heavy Atoms | 24 |
| Complexity | 954.38513 |
Chemical Identifiers
| CAS Number | 714280-70-3 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC(=O)C3=CC=CC=C3 |
Product Overview
3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one (CAS 714280-70-3), with molecular formula C18H15IN2O2S and molecular weight 449.99 g/mol. IUPAC: 3-ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one
Property Insights of 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one
The XLogP value of 3.996 indicates that 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one has 0 hydrogen bond donor(s) and 4 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-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one?
The CAS number of 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one is 714280-70-3.
What is the molecular formula of 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one?
The molecular formula of 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one is C18H15IN2O2S.
What is the molecular weight of 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one?
The molecular weight of 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one is 449.99 g/mol.
Where can I buy 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one?
You can request a quote for 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-6-iodo-2-phenacylsulfanylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.