2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone
TL;DR: 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone (CAS 499101-99-4) is a chemical compound with molecular formula C23H15ClN2O4S and molecular weight 450.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)quinazolin-4-one
Also Known As: 2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-chlorophenyl)quinazolin-4(3H)-one, 2-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-(4-chlorophenyl)quinazolin-4(3H)-one, 2-((2-(1,3-BENZODIOXOL-5-YL)-2-OXOETHYL)THIO)-3-(4-CL-PH)-4(3H)-QUINAZOLINONE, 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-chlorophenyl)-3,4-dihydroquinazolin-4-one, 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-chlorophenyl)quinazolin-4-one
| Molecular Formula | C23H15ClN2O4S |
|---|---|
| Molecular Weight | 450.04 g/mol |
| LogP | 4.7428 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0441 |
| Heavy Atoms | 31 |
| Complexity | 1368.6202 |
Chemical Identifiers
| CAS Number | 499101-99-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl |
Product Overview
2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone (CAS 499101-99-4), with molecular formula C23H15ClN2O4S and molecular weight 450.04 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)quinazolin-4-one.
Chemical Property Profile of 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone
Property Insights of 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone
The XLogP value of 4.7428 indicates that 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 6 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-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone?
The CAS number of 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone is 499101-99-4.
What is the molecular formula of 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone?
The molecular formula of 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone is C23H15ClN2O4S.
What is the molecular weight of 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone?
The molecular weight of 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone is 450.04 g/mol.
Where can I buy 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone?
You can request a quote for 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-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 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(1,3-Benzodioxol-5-YL)-2-oxoethyl)thio)-3-(4-CL-PH)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.