2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one
TL;DR: 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one (CAS 496774-98-2) is a chemical compound with molecular formula C21H23IN2OS and molecular weight 478.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylsulfanyl-6-iodo-3-(4-methylphenyl)quinazolin-4-one
Also Known As: 2-hexylsulfanyl-6-iodo-3-(4-methylphenyl)quinazolin-4-one, 2-(hexylthio)-6-iodo-3-(p-tolyl)quinazolin-4(3H)-one, 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one
| Molecular Formula | C21H23IN2OS |
|---|---|
| Molecular Weight | 478.06 g/mol |
| LogP | 5.97112 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.0576 |
| Heavy Atoms | 26 |
| Complexity | 950.62256 |
Chemical Identifiers
| CAS Number | 496774-98-2 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)C |
Product Overview
2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one (CAS 496774-98-2), with molecular formula C21H23IN2OS and molecular weight 478.06 g/mol. IUPAC: 2-hexylsulfanyl-6-iodo-3-(4-methylphenyl)quinazolin-4-one.
Chemical Property Profile of 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one
Property Insights of 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one
The XLogP value of 5.97112 indicates that 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)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 34.89 Ų, 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one?
The CAS number of 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one is 496774-98-2.
What is the molecular formula of 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one?
The molecular formula of 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one is C21H23IN2OS.
What is the molecular weight of 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one?
The molecular weight of 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one is 478.06 g/mol.
Where can I buy 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one?
You can request a quote for 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)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 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(hexylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.