p-Tolyl propadienyl sulphone
TL;DR: p-Tolyl propadienyl sulphone (CAS 16192-08-8) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-propa-1,2-dienylsulfonylbenzene
Also Known As: 1-Tosylpropadiene, p-Tolyl propadienyl sulphone, 1-(p-Tolylsulfonyl)allene, p-tolyl propadienyl sulfone, 1-methyl-4-propa-1,2-dienylsulfonylbenzene
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 16192-08-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C=C=C |
| InChIKey | XKGAKLCWOYKBBO-UHFFFAOYSA-N |
Product Overview
p-Tolyl propadienyl sulphone (CAS 16192-08-8), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 1-methyl-4-propa-1,2-dienylsulfonylbenzene.
Chemical Property Profile of p-Tolyl propadienyl sulphone
Property Insights of p-Tolyl propadienyl sulphone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Tolyl propadienyl sulphone. With a topological polar surface area (TPSA) of 42.5 Ų, p-Tolyl propadienyl sulphone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolyl propadienyl 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 p-Tolyl propadienyl sulphone?
The CAS number of p-Tolyl propadienyl sulphone is 16192-08-8.
What is the molecular formula of p-Tolyl propadienyl sulphone?
The molecular formula of p-Tolyl propadienyl sulphone is C10H10O2S.
What is the molecular weight of p-Tolyl propadienyl sulphone?
The molecular weight of p-Tolyl propadienyl sulphone is 194.04 g/mol.
Where can I buy p-Tolyl propadienyl sulphone?
You can request a quote for p-Tolyl propadienyl sulphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolyl propadienyl sulphone?
Yes, KEHONG BIO provides custom synthesis services for p-Tolyl propadienyl sulphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.