p-Tolyloxyacetone
TL;DR: p-Tolyloxyacetone (CAS 6698-70-0) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenoxy)propan-2-one
Also Known As: p-Tolyloxyacetone, 2-Propanone, 1-(4-methylphenoxy)-, 1-(4-methylphenoxy)propan-2-one, 4-Methylphenoxyacetone, 2-Propanone, 1-(p-tolyloxy)-
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 6698-70-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)C |
| InChIKey | AXBFJBYBUMAYDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Tolyloxyacetone (CAS 6698-70-0), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 1-(4-methylphenoxy)propan-2-one.
Chemical Property Profile of p-Tolyloxyacetone
Property Insights of p-Tolyloxyacetone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Tolyloxyacetone. With a topological polar surface area (TPSA) of 26.3 Ų, p-Tolyloxyacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolyloxyacetone 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-Tolyloxyacetone?
The CAS number of p-Tolyloxyacetone is 6698-70-0.
What is the molecular formula of p-Tolyloxyacetone?
The molecular formula of p-Tolyloxyacetone is C10H12O2.
What is the molecular weight of p-Tolyloxyacetone?
The molecular weight of p-Tolyloxyacetone is 164.08 g/mol.
Where can I buy p-Tolyloxyacetone?
You can request a quote for p-Tolyloxyacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolyloxyacetone?
Yes, KEHONG BIO provides custom synthesis services for p-Tolyloxyacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.