Phenyl propargyl sulfone
TL;DR: Phenyl propargyl sulfone (CAS 2525-40-8) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynylsulfonylbenzene
Also Known As: Phenyl propargyl sulfone, prop-2-ynylsulfonylbenzene, Phenylpropargyl sulfone, Propargylphenyl sulfone, 2-Propynylphenyl sulfone
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 2525-40-8 |
|---|---|
| SMILES | C#CCS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | XRZMPJGMAIXQRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl propargyl sulfone (CAS 2525-40-8), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: prop-2-ynylsulfonylbenzene.
Chemical Property Profile of Phenyl propargyl sulfone
Property Insights of Phenyl propargyl sulfone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl propargyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Phenyl propargyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl propargyl sulfone has 0 hydrogen bond donor(s) and 2 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 Phenyl propargyl sulfone?
The CAS number of Phenyl propargyl sulfone is 2525-40-8.
What is the molecular formula of Phenyl propargyl sulfone?
The molecular formula of Phenyl propargyl sulfone is C9H8O2S.
What is the molecular weight of Phenyl propargyl sulfone?
The molecular weight of Phenyl propargyl sulfone is 180.02 g/mol.
Where can I buy Phenyl propargyl sulfone?
You can request a quote for Phenyl propargyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl propargyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl propargyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.