Sulfone, 3-butynyl p-tolyl
TL;DR: Sulfone, 3-butynyl p-tolyl (CAS 36832-52-7) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-but-3-ynylsulfonyl-4-methylbenzene
Also Known As: Sulfone, 3-butynyl p-tolyl, Sulfone, 3-butynyl p-tolyl,, 1-but-3-ynylsulfonyl-4-methylbenzene, 1-(but-3-yne-1-sulfonyl)-4-methylbenzene, J3.755.409J
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 36832-52-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCC#C |
| InChIKey | XKDXCVCQIUFLNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfone, 3-butynyl p-tolyl (CAS 36832-52-7), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: 1-but-3-ynylsulfonyl-4-methylbenzene.
Chemical Property Profile of Sulfone, 3-butynyl p-tolyl
Property Insights of Sulfone, 3-butynyl p-tolyl
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfone, 3-butynyl p-tolyl. With a topological polar surface area (TPSA) of 42.5 Ų, Sulfone, 3-butynyl p-tolyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfone, 3-butynyl p-tolyl 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 Sulfone, 3-butynyl p-tolyl?
The CAS number of Sulfone, 3-butynyl p-tolyl is 36832-52-7.
What is the molecular formula of Sulfone, 3-butynyl p-tolyl?
The molecular formula of Sulfone, 3-butynyl p-tolyl is C11H12O2S.
What is the molecular weight of Sulfone, 3-butynyl p-tolyl?
The molecular weight of Sulfone, 3-butynyl p-tolyl is 208.06 g/mol.
Where can I buy Sulfone, 3-butynyl p-tolyl?
You can request a quote for Sulfone, 3-butynyl p-tolyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfone, 3-butynyl p-tolyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfone, 3-butynyl p-tolyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.