3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one
TL;DR: 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one (CAS 35977-42-5) is a chemical compound with molecular formula C16H13IN2OS and molecular weight 407.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-iodo-2-methylsulfanylquinazolin-4-one
Also Known As: 3-benzyl-6-iodo-2-methylsulfanylquinazolin-4-one, 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one, 6-Iodo-2-(methylthio)-3-(phenylmethyl)-4(3H)-quinazolinone, 3-benzyl-6-iodo-2-(methylthio)-4(3H)-quinazolinone, 3-benzyl-6-iodo-2-(methylthio)quinazolin-4(3H)-one
| Molecular Formula | C16H13IN2OS |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 3.7713 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.97934 |
| Heavy Atoms | 21 |
| Complexity | 846.0151 |
Chemical Identifiers
| CAS Number | 35977-42-5 |
|---|---|
| SMILES | CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3 |
Product Overview
3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one (CAS 35977-42-5), with molecular formula C16H13IN2OS and molecular weight 407.98 g/mol. IUPAC: 3-benzyl-6-iodo-2-methylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one
Property Insights of 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one
The XLogP value of 3.7713 indicates that 3-benzyl-6-iodo-2-(methylsulfanyl)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, 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-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 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one?
The CAS number of 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one is 35977-42-5.
What is the molecular formula of 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one?
The molecular formula of 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one is C16H13IN2OS.
What is the molecular weight of 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one?
The molecular weight of 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one is 407.98 g/mol.
Where can I buy 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one?
You can request a quote for 3-benzyl-6-iodo-2-(methylsulfanyl)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 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-iodo-2-(methylsulfanyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.