3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone
TL;DR: 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone (CAS 330833-69-7) is a chemical compound with molecular formula C18H14N2OS and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one
Also Known As: BAS 00718681, 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone, 3-(4-methylphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one, AB00094838-01, AJ-292/11720074
| Molecular Formula | C18H14N2OS |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 3.41942 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.08267 |
| Heavy Atoms | 22 |
| Complexity | 920.4554 |
Chemical Identifiers
| CAS Number | 330833-69-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#C |
Product Overview
3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone (CAS 330833-69-7), with molecular formula C18H14N2OS and molecular weight 306.08 g/mol. IUPAC: 3-(4-methylphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone
Property Insights of 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone
The XLogP value of 3.41942 indicates that 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 3 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-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
The CAS number of 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone is 330833-69-7.
What is the molecular formula of 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
The molecular formula of 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone is C18H14N2OS.
What is the molecular weight of 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
The molecular weight of 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone is 306.08 g/mol.
Where can I buy 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
You can request a quote for 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-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-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-2-(2-propynylsulfanyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.