Phenyl prop-1-ynyl sulphone
TL;DR: Phenyl prop-1-ynyl sulphone (CAS 2525-41-9) 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-1-ynylsulfonylbenzene
Also Known As: Phenyl prop-1-ynyl sulphone, prop-1-ynylsulfonylbenzene, propynyl phenyl sulfone, 1-phenylsulphonylpropyne, Phenyl(1-propynyl) sulfone
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 2525-41-9 |
|---|---|
| SMILES | CC#CS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | LYYXDHMLCDVGGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl prop-1-ynyl sulphone (CAS 2525-41-9), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: prop-1-ynylsulfonylbenzene.
Chemical Property Profile of Phenyl prop-1-ynyl sulphone
Property Insights of Phenyl prop-1-ynyl sulphone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl prop-1-ynyl sulphone. With a topological polar surface area (TPSA) of 42.5 Ų, Phenyl prop-1-ynyl sulphone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl prop-1-ynyl sulphone 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 prop-1-ynyl sulphone?
The CAS number of Phenyl prop-1-ynyl sulphone is 2525-41-9.
What is the molecular formula of Phenyl prop-1-ynyl sulphone?
The molecular formula of Phenyl prop-1-ynyl sulphone is C9H8O2S.
What is the molecular weight of Phenyl prop-1-ynyl sulphone?
The molecular weight of Phenyl prop-1-ynyl sulphone is 180.02 g/mol.
Where can I buy Phenyl prop-1-ynyl sulphone?
You can request a quote for Phenyl prop-1-ynyl sulphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl prop-1-ynyl sulphone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl prop-1-ynyl sulphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.