2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
TL;DR: 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one (CAS 487032-40-6) is a chemical compound with molecular formula C22H25IN2OS and molecular weight 492.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptylsulfanyl-6-iodo-3-(2-methylphenyl)quinazolin-4-one
Also Known As: 2-heptylsulfanyl-6-iodo-3-(2-methylphenyl)quinazolin-4-one, 2-(heptylthio)-6-iodo-3-(o-tolyl)quinazolin-4(3H)-one, 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
| Molecular Formula | C22H25IN2OS |
|---|---|
| Molecular Weight | 492.07 g/mol |
| LogP | 6.36122 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.07324 |
| Heavy Atoms | 27 |
| Complexity | 983.699 |
Chemical Identifiers
| CAS Number | 487032-40-6 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC=C3C |
Product Overview
2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one (CAS 487032-40-6), with molecular formula C22H25IN2OS and molecular weight 492.07 g/mol. IUPAC: 2-heptylsulfanyl-6-iodo-3-(2-methylphenyl)quinazolin-4-one.
Chemical Property Profile of 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
Property Insights of 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one
The XLogP value of 6.36122 indicates that 2-(heptylsulfanyl)-6-iodo-3-(2-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-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(heptylsulfanyl)-6-iodo-3-(2-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-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one?
The CAS number of 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one is 487032-40-6.
What is the molecular formula of 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one?
The molecular formula of 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one is C22H25IN2OS.
What is the molecular weight of 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one?
The molecular weight of 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one is 492.07 g/mol.
Where can I buy 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one?
You can request a quote for 2-(heptylsulfanyl)-6-iodo-3-(2-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-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(heptylsulfanyl)-6-iodo-3-(2-methylphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.