3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one
TL;DR: 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one (CAS 577999-08-7) is a chemical compound with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yloxy-2-propan-2-ylsulfanylquinazolin-4-one
Also Known As: 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one, 3-Isopropoxy-2-isopropylsulfanyl-3H-quinazolin-4-one, 3-propan-2-yloxy-2-propan-2-ylsulfanylquinazolin-4-one, 3-(propan-2-yloxy)-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one
| Molecular Formula | C14H18N2O2S |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 2.734 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1089 |
| Heavy Atoms | 19 |
| Complexity | 634.86884 |
Chemical Identifiers
| CAS Number | 577999-08-7 |
|---|---|
| SMILES | CC(C)ON1C(=O)C2=CC=CC=C2N=C1SC(C)C |
Product Overview
3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one (CAS 577999-08-7), with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol. IUPAC: 3-propan-2-yloxy-2-propan-2-ylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one
Property Insights of 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one
The XLogP value of 2.734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 44.12 Ų, 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one?
The CAS number of 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one is 577999-08-7.
What is the molecular formula of 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one?
The molecular formula of 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one is C14H18N2O2S.
What is the molecular weight of 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one?
The molecular weight of 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one is 278.11 g/mol.
Where can I buy 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one?
You can request a quote for 3-isopropoxy-2-(isopropylthio)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-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-isopropoxy-2-(isopropylthio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.