2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
TL;DR: 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one (CAS 85458-81-7) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydroquinazolin-4-one
Also Known As: 2-methylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydroquinazolin-4-one, 3-allyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-one, 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, 3-Allyl-2-methylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 85458-81-7 |
|---|---|
| SMILES | CSC1=NC2=C(CCCC2)C(=O)N1CC=C |
| InChIKey | QZTRVKWSIUNVTA-UHFFFAOYSA-N |
Product Overview
2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one (CAS 85458-81-7), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 2-methylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydroquinazolin-4-one.
Chemical Property Profile of 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Property Insights of 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 58.0 Ų, 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one 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 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one?
The CAS number of 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one is 85458-81-7.
What is the molecular formula of 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one?
The molecular formula of 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one is C12H16N2OS.
What is the molecular weight of 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one?
The molecular weight of 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one is 236.10 g/mol.
Where can I buy 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one?
You can request a quote for 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-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-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.