3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone
TL;DR: 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone (CAS 331972-02-2) is a chemical compound with molecular formula C12H10N2OS and molecular weight 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-prop-2-ynylsulfanylquinazolin-4-one
Also Known As: 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone, 3-methyl-2-prop-2-ynylsulfanylquinazolin-4-one, BAS 00718672, AB00094929-01, 3-methyl-2-(prop-2-yn-1-ylthio)quinazolin-4(3H)-one
| Molecular Formula | C12H10N2OS |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | 1.6588 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.05139 |
| Heavy Atoms | 16 |
| Complexity | 624.9319 |
Chemical Identifiers
| CAS Number | 331972-02-2 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N=C1SCC#C |
Product Overview
3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone (CAS 331972-02-2), with molecular formula C12H10N2OS and molecular weight 230.05 g/mol. IUPAC: 3-methyl-2-prop-2-ynylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone
Property Insights of 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone
The XLogP value of 1.6588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone. With a topological polar surface area (TPSA) of 34.89 Ų, 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-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-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
The CAS number of 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone is 331972-02-2.
What is the molecular formula of 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
The molecular formula of 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone is C12H10N2OS.
What is the molecular weight of 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
The molecular weight of 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone is 230.05 g/mol.
Where can I buy 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
You can request a quote for 3-methyl-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-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-(2-propynylsulfanyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.