2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one
TL;DR: 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 1039-02-7) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
Also Known As: 2-(aminomethyl)-1-benzylpyrrolidine, BAS 00718617, 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one, 2-ethylsulfanyl-3-(4-methoxyphenyl)quinazolin-4-one, 2-(Ethylthio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.5063 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 856.6571 |
Chemical Identifiers
| CAS Number | 1039-02-7 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC |
Product Overview
2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 1039-02-7), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 2-ethylsulfanyl-3-(4-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Property Insights of 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one
The XLogP value of 3.5063 indicates that 2-(ethylsulfanyl)-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 44.12 Ų, 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(ethylsulfanyl)-3-(4-methoxyphenyl)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 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The CAS number of 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 1039-02-7.
What is the molecular formula of 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular formula of 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one is C17H16N2O2S.
What is the molecular weight of 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular weight of 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 312.09 g/mol.
Where can I buy 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
You can request a quote for 2-(ethylsulfanyl)-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 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(ethylsulfanyl)-3-(4-methoxyphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.