3-Methylacetophenone
TL;DR: 3-Methylacetophenone (CAS 585-74-0) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)ethanone
Also Known As: 3'-Methylacetophenone, 1-(m-Tolyl)ethanone, m-Methylacetophenone, 3-METHYLACETOPHENONE, Ethanone, 1-(3-methylphenyl)-
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
| Vapor Pressure | 0.22 [mmHg] |
Chemical Identifiers
| CAS Number | 585-74-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)C |
| InChIKey | FSPSELPMWGWDRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylacetophenone (CAS 585-74-0), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: 1-(3-methylphenyl)ethanone.
Chemical Property Profile of 3-Methylacetophenone
Property Insights of 3-Methylacetophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylacetophenone has 0 hydrogen bond donor(s) and 1 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 3-Methylacetophenone?
The CAS number of 3-Methylacetophenone is 585-74-0.
What is the molecular formula of 3-Methylacetophenone?
The molecular formula of 3-Methylacetophenone is C9H10O.
What is the molecular weight of 3-Methylacetophenone?
The molecular weight of 3-Methylacetophenone is 134.07 g/mol.
Where can I buy 3-Methylacetophenone?
You can request a quote for 3-Methylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.