3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone
TL;DR: 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone (CAS 577763-25-8) is a chemical compound with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropoxy)-2-(2-methylpropylsulfanyl)quinazolin-4-one
Also Known As: 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone, 3-isobutoxy-2-(isobutylthio)quinazolin-4(3H)-one, 3-(2-methylpropoxy)-2-(2-methylpropylsulfanyl)quinazolin-4-one, AT-057/43486471, 3-(2-methylpropoxy)-2-[(2-methylpropyl)sulfanyl]quinazolin-4(3H)-one
| Molecular Formula | C16H22N2O2S |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 3.2292 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.1402 |
| Heavy Atoms | 21 |
| Complexity | 664.8648 |
Chemical Identifiers
| CAS Number | 577763-25-8 |
|---|---|
| SMILES | CC(C)CON1C(=O)C2=CC=CC=C2N=C1SCC(C)C |
Product Overview
3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone (CAS 577763-25-8), with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol. IUPAC: 3-(2-methylpropoxy)-2-(2-methylpropylsulfanyl)quinazolin-4-one.
Chemical Property Profile of 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone
Property Insights of 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone
The XLogP value of 3.2292 indicates that 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone 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-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone?
The CAS number of 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone is 577763-25-8.
What is the molecular formula of 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone?
The molecular formula of 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone is C16H22N2O2S.
What is the molecular weight of 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone?
The molecular weight of 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone is 306.14 g/mol.
Where can I buy 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone?
You can request a quote for 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutoxy-2-(isobutylsulfanyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.