![6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one structure](/static/products/498/498571-12-3.png)
6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
TL;DR: 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one (CAS 498571-12-3) is a chemical compound with molecular formula C19H15IN2O2S and molecular weight 461.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-iodo-2-phenacylsulfanyl-3-prop-2-enylquinazolin-4-one
Also Known As: 6-iodo-2-phenacylsulfanyl-3-prop-2-enylquinazolin-4-one, 6-iodo-2-phenacylsulfanyl-3-prop-2-enyl-quinazolin-4-one, 3-allyl-6-iodo-2-((2-oxo-2-phenylethyl)thio)quinazolin-4(3H)-one, 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
| Molecular Formula | C19H15IN2O2S |
|---|---|
| Molecular Weight | 461.99 g/mol |
| LogP | 4.1621 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.9899 |
| Heavy Atoms | 25 |
| Complexity | 999.47186 |
Chemical Identifiers
| CAS Number | 498571-12-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC(=O)C3=CC=CC=C3 |
Product Overview
6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one (CAS 498571-12-3), with molecular formula C19H15IN2O2S and molecular weight 461.99 g/mol. IUPAC: 6-iodo-2-phenacylsulfanyl-3-prop-2-enylquinazolin-4-one.
Chemical Property Profile of 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
Property Insights of 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
The XLogP value of 4.1621 indicates that 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)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 51.96 Ų, 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-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 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one?
The CAS number of 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one is 498571-12-3.
What is the molecular formula of 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one?
The molecular formula of 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one is C19H15IN2O2S.
What is the molecular weight of 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one?
The molecular weight of 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one is 461.99 g/mol.
Where can I buy 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one?
You can request a quote for 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)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 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-iodo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.