6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one
TL;DR: 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 18741-44-1) is a chemical compound with molecular formula C15H11IN2O2S and molecular weight 409.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-iodo-3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one, 6-iodo-3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one, 1,2-Dihydro-3-(4-methoxyphenyl)-6-iodo-2-thioxoquinazolin-4(3H)-one, 6-iodo-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-iodo-3-(4-methoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C15H11IN2O2S |
|---|---|
| Molecular Weight | 409.96 g/mol |
| LogP | 3.66149 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.9586 |
| Heavy Atoms | 21 |
| Complexity | 929.0419 |
Chemical Identifiers
| CAS Number | 18741-44-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)NC2=S |
Product Overview
6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 18741-44-1), with molecular formula C15H11IN2O2S and molecular weight 409.96 g/mol. IUPAC: 6-iodo-3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Property Insights of 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one
The XLogP value of 3.66149 indicates that 6-iodo-2-mercapto-3-(4-methoxyphenyl)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 47.02 Ų, 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one has 1 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 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The CAS number of 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 18741-44-1.
What is the molecular formula of 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular formula of 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one is C15H11IN2O2S.
What is the molecular weight of 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular weight of 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 409.96 g/mol.
Where can I buy 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
You can request a quote for 6-iodo-2-mercapto-3-(4-methoxyphenyl)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-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-iodo-2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.