3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one
TL;DR: 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one (CAS 19994-77-5) is a chemical compound with molecular formula C18H17IN2OS and molecular weight 436.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-iodo-2-propan-2-ylsulfanylquinazolin-4-one
Also Known As: 3-benzyl-6-iodo-2-(isopropylthio)quinazolin-4(3H)-one, 3-benzyl-6-iodo-2-propan-2-ylsulfanylquinazolin-4-one, 3-benzyl-6-iodo-2-(isopropylsulfanyl)quinazolin-4(3h)-one, 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one
| Molecular Formula | C18H17IN2OS |
|---|---|
| Molecular Weight | 436.01 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.01062 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 19994-77-5 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3 |
| InChIKey | BCCODQAIESLSNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one (CAS 19994-77-5), with molecular formula C18H17IN2OS and molecular weight 436.01 g/mol. IUPAC: 3-benzyl-6-iodo-2-propan-2-ylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one
Property Insights of 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one
The XLogP value of 4.8 indicates that 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)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 58.0 Ų, 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)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-(propan-2-ylsulfanyl)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-(propan-2-ylsulfanyl)quinazolin-4(3H)-one?
The CAS number of 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one is 19994-77-5.
What is the molecular formula of 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one?
The molecular formula of 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one is C18H17IN2OS.
What is the molecular weight of 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one?
The molecular weight of 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one is 436.01 g/mol.
Where can I buy 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one?
You can request a quote for 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)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-(propan-2-ylsulfanyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-iodo-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.