4-Methyl-1-phenyl-1-penten-3-one
TL;DR: 4-Methyl-1-phenyl-1-penten-3-one (CAS 3160-32-5) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-phenylpent-1-en-3-one
Also Known As: 4-Methyl-1-phenyl-1-penten-3-one, 4-Methyl-1-phenylpent-1-en-3-one, (E)-4-methyl-1-phenylpent-1-en-3-one, NCI60_018120, 1-PENTEN-3-ONE, 4-METHYL-1-PHENYL-
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 3160-32-5 |
|---|---|
| SMILES | CC(C)C(=O)C=CC1=CC=CC=C1 |
| InChIKey | CAXIQKXPSQYDIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1-phenyl-1-penten-3-one (CAS 3160-32-5), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 4-methyl-1-phenylpent-1-en-3-one.
Chemical Property Profile of 4-Methyl-1-phenyl-1-penten-3-one
Property Insights of 4-Methyl-1-phenyl-1-penten-3-one
The XLogP value of 3.1 indicates that 4-Methyl-1-phenyl-1-penten-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methyl-1-phenyl-1-penten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-phenyl-1-penten-3-one 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 4-Methyl-1-phenyl-1-penten-3-one?
The CAS number of 4-Methyl-1-phenyl-1-penten-3-one is 3160-32-5.
What is the molecular formula of 4-Methyl-1-phenyl-1-penten-3-one?
The molecular formula of 4-Methyl-1-phenyl-1-penten-3-one is C12H14O.
What is the molecular weight of 4-Methyl-1-phenyl-1-penten-3-one?
The molecular weight of 4-Methyl-1-phenyl-1-penten-3-one is 174.10 g/mol.
Where can I buy 4-Methyl-1-phenyl-1-penten-3-one?
You can request a quote for 4-Methyl-1-phenyl-1-penten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-phenyl-1-penten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-phenyl-1-penten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.