3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone
TL;DR: 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone (CAS 60262-56-8) is a chemical compound with molecular formula C22H19NO3S and molecular weight 377.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminophenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-one
Also Known As: Maybridge1_007068, 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone, 3-(2-aminophenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-one, 1-PROPANONE, 3-((2-AMINOPHENYL)THIO)-3-(1,3-BENZODIOXOL-5-YL)-1-PHENYL-, 3-(2-aminophenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-1-phenylp
| Molecular Formula | C22H19NO3S |
|---|---|
| Molecular Weight | 377.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.10855 |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 60262-56-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CC=C3)SC4=CC=CC=C4N |
| InChIKey | GREKXRGVSVVDFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone (CAS 60262-56-8), with molecular formula C22H19NO3S and molecular weight 377.11 g/mol. IUPAC: 3-(2-aminophenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-one.
Chemical Property Profile of 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone
Property Insights of 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone
The XLogP value of 4.4 indicates that 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone. Following Lipinski's Rule of Five, 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone has 1 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 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone?
The CAS number of 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone is 60262-56-8.
What is the molecular formula of 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone?
The molecular formula of 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone is C22H19NO3S.
What is the molecular weight of 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone?
The molecular weight of 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone is 377.11 g/mol.
Where can I buy 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone?
You can request a quote for 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Aminophenyl)thio)-3-(1,3-benzodioxol-5-yl)-1-phenyl-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.