![1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone structure](/static/products/4773/477334-46-6.webp)
1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone (CAS 477334-46-6) is a chemical compound with molecular formula C16H13BrO5S and molecular weight 395.97 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-bromophenyl)sulfonylpropan-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone, 1-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)sulfonylpropan-1-one, 1-(Benzo[d][1,3]dioxol-5-yl)-3-((4-bromophenyl)sulfonyl)propan-1-one, 1-benzo[1,3]dioxol-5-yl-3-(4-bromophenyl)sulfonyl-propan-1-one, 1-(1,3-BENZODIOXOL-5-YL)-3-((4-BROMOPHENYL)SULFONYL)-1-PROPANONE
| Molecular Formula | C16H13BrO5S |
|---|---|
| Molecular Weight | 395.97 g/mol |
| LogP | 3.2245 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.9667 |
| Heavy Atoms | 23 |
| Complexity | 843.27435 |
Chemical Identifiers
| CAS Number | 477334-46-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone (CAS 477334-46-6), with molecular formula C16H13BrO5S and molecular weight 395.97 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)sulfonylpropan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone
The XLogP value of 3.2245 indicates that 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-bromophenyl)sulfonyl]-1-propanone. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)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-bromophenyl)sulfonyl]-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone is 477334-46-6.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone is C16H13BrO5S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone is 395.97 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)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-bromophenyl)sulfonyl]-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-[(4-bromophenyl)sulfonyl]-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.