2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one
TL;DR: 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one (CAS 346641-71-2) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one
Also Known As: TimTec1_003293, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one, A2677/0114056, 2-[(1,3-benzodioxol-5-ylmethyl)thio]-3-methylquinazolin-4(3H)-one, 2-(Benzo[1,3]dioxol-5-ylmethylsulfanyl)-3-methyl-3H-quinazolin-4-one
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 346641-71-2 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4 |
| InChIKey | ZJVIINRFNCLMFW-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one (CAS 346641-71-2), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one
Property Insights of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one
The XLogP value of 3.1 indicates that 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one?
The CAS number of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one is 346641-71-2.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one?
The molecular formula of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one is C17H14N2O3S.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one?
The molecular weight of 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one is 326.07 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one?
You can request a quote for 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.