3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one
TL;DR: 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one (CAS 330179-93-6) is a chemical compound with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one
Also Known As: BAS 00718682, 3-(4-methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one, 3-(4-methoxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)quinazolin-4(3H)-one, 3-(4-methoxyphenyl)-2-prop-2-ynylthio-3-hydroquinazolin-4-one, 3-(4-Methoxy-phenyl)-2-prop-2-ynylsulfanyl-3H-quinazolin-4-one
| Molecular Formula | C18H14N2O2S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 3.1196 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0776 |
| Heavy Atoms | 23 |
| Complexity | 939.8782 |
Chemical Identifiers
| CAS Number | 330179-93-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#C |
Product Overview
3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one (CAS 330179-93-6), with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one
Property Insights of 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one
The XLogP value of 3.1196 indicates that 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-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, 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-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 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one?
The CAS number of 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one is 330179-93-6.
What is the molecular formula of 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one?
The molecular formula of 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one is C18H14N2O2S.
What is the molecular weight of 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one?
The molecular weight of 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one is 322.08 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one?
You can request a quote for 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.