2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one
TL;DR: 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one (CAS 488840-73-9) is a chemical compound with molecular formula C17H15IN2OS and molecular weight 422.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one
Also Known As: 2-ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one, 2-(ethylthio)-6-iodo-3-(m-tolyl)quinazolin-4(3H)-one, 2-(ethylsulfanyl)-6-iodo-3-(3-methylphenyl)quinazolin-4(3H)-one
| Molecular Formula | C17H15IN2OS |
|---|---|
| Molecular Weight | 422.00 g/mol |
| LogP | 4.41072 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.995 |
| Heavy Atoms | 22 |
| Complexity | 904.7898 |
Chemical Identifiers
| CAS Number | 488840-73-9 |
|---|---|
| SMILES | CCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC(=C3)C |
Product Overview
2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one (CAS 488840-73-9), with molecular formula C17H15IN2OS and molecular weight 422.00 g/mol. IUPAC: 2-ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one.
Chemical Property Profile of 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one
Property Insights of 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one
The XLogP value of 4.41072 indicates that 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one has 0 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 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one?
The CAS number of 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one is 488840-73-9.
What is the molecular formula of 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one?
The molecular formula of 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one is C17H15IN2OS.
What is the molecular weight of 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one?
The molecular weight of 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one is 422.00 g/mol.
Where can I buy 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one?
You can request a quote for 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-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-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.