3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one
TL;DR: 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one (CAS 384358-91-2) is a chemical compound with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one
Also Known As: 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one, F1080-0009, 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one, 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
| Molecular Formula | C18H21N3O2S |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.13544 |
| Heavy Atoms | 24 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 384358-91-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCC3 |
| InChIKey | NWXJTUPMOPAZGH-UHFFFAOYSA-N |
Product Overview
3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one (CAS 384358-91-2), with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol. IUPAC: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one.
Chemical Property Profile of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one
Property Insights of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-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-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one?
The CAS number of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one is 384358-91-2.
What is the molecular formula of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one?
The molecular formula of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one is C18H21N3O2S.
What is the molecular weight of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one?
The molecular weight of 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one is 343.14 g/mol.
Where can I buy 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one?
You can request a quote for 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-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 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.