2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
TL;DR: 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one (CAS 381179-95-9) 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-(3-methoxyphenyl)quinazolin-4-one
Also Known As: ChemDiv3_002374, 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one, BAS 02141184, 2-Ethylsulfanyl-3-(3-methoxy-phenyl)-3H-quinazolin-4-one, BRD-K86894576-001-01-0
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 381179-95-9 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC |
| InChIKey | JBUQNODYIZMFIO-UHFFFAOYSA-N |
Product Overview
2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one (CAS 381179-95-9), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
Property Insights of 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
The XLogP value of 3.7 indicates that 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one. Following Lipinski's Rule of Five, 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-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-(3-methoxyphenyl)quinazolin-4-one?
The CAS number of 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one is 381179-95-9.
What is the molecular formula of 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one?
The molecular formula of 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one is C17H16N2O2S.
What is the molecular weight of 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one?
The molecular weight of 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one is 312.09 g/mol.
Where can I buy 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one?
You can request a quote for 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-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-(3-methoxyphenyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.