![1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone structure](/static/products/868/868256-05-7.png)
1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone (CAS 868256-05-7) is a chemical compound with molecular formula C17H16O5S and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone, 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)sulfonylpropan-1-one, 1-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)propan-1-one, 1-benzo[1,3]dioxol-5-yl-3-(4-methylphenyl)sulfonyl-propan-1-one
| Molecular Formula | C17H16O5S |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 2.77042 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.07184 |
| Heavy Atoms | 23 |
| Complexity | 837.7875 |
Chemical Identifiers
| CAS Number | 868256-05-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone (CAS 868256-05-7), with molecular formula C17H16O5S and molecular weight 332.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)sulfonylpropan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
The XLogP value of 2.77042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone 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 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone is 868256-05-7.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone is C17H16O5S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone is 332.07 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.