Ethylsulfonylpropanone
TL;DR: Ethylsulfonylpropanone (CAS 86453-13-6) is a chemical compound with molecular formula C5H10O3S and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfonylpropan-2-one
Also Known As: Ethylsulfonylpropanone, 1-(ethanesulfonyl)propan-2-one, 1-ethylsulfonylpropan-2-one, (Ethylsulfonyl)acetone, 1-(ethylsulfonyl)acetone
| Molecular Formula | C5H10O3S |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.03506 |
| Heavy Atoms | 9 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 86453-13-6 |
|---|---|
| SMILES | CCS(=O)(=O)CC(=O)C |
| InChIKey | QZKCAVXRXZLZSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylsulfonylpropanone (CAS 86453-13-6), with molecular formula C5H10O3S and molecular weight 150.04 g/mol. IUPAC: 1-ethylsulfonylpropan-2-one.
Chemical Property Profile of Ethylsulfonylpropanone
Property Insights of Ethylsulfonylpropanone
The XLogP value of -0.3 indicates that Ethylsulfonylpropanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, Ethylsulfonylpropanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylsulfonylpropanone has 0 hydrogen bond donor(s) and 3 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 Ethylsulfonylpropanone?
The CAS number of Ethylsulfonylpropanone is 86453-13-6.
What is the molecular formula of Ethylsulfonylpropanone?
The molecular formula of Ethylsulfonylpropanone is C5H10O3S.
What is the molecular weight of Ethylsulfonylpropanone?
The molecular weight of Ethylsulfonylpropanone is 150.04 g/mol.
Where can I buy Ethylsulfonylpropanone?
You can request a quote for Ethylsulfonylpropanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylsulfonylpropanone?
Yes, KEHONG BIO provides custom synthesis services for Ethylsulfonylpropanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.