1-(4-Methoxyphenyl)-1-pentene-3-one
TL;DR: 1-(4-Methoxyphenyl)-1-pentene-3-one (CAS 104-27-8) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)pent-1-en-3-one
Also Known As: 1-(4-Methoxyphenyl)pent-1-en-3-one, 1-(4-Methoxyphenyl)-1-pentene-3-one, 1-Penten-3-one, 1-(4-methoxyphenyl)-, 1-(4-Methoxyphenyl)-1-penten-3-one, 1-(p-METHOXYPHENYL)-1-PENTEN-3-ONE
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 104-27-8 |
|---|---|
| SMILES | CCC(=O)C=CC1=CC=C(C=C1)OC |
| InChIKey | SLDQOBRACOQXGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxyphenyl)-1-pentene-3-one (CAS 104-27-8), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 1-(4-methoxyphenyl)pent-1-en-3-one.
Chemical Property Profile of 1-(4-Methoxyphenyl)-1-pentene-3-one
Property Insights of 1-(4-Methoxyphenyl)-1-pentene-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxyphenyl)-1-pentene-3-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(4-Methoxyphenyl)-1-pentene-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-1-pentene-3-one 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 1-(4-Methoxyphenyl)-1-pentene-3-one?
The CAS number of 1-(4-Methoxyphenyl)-1-pentene-3-one is 104-27-8.
What is the molecular formula of 1-(4-Methoxyphenyl)-1-pentene-3-one?
The molecular formula of 1-(4-Methoxyphenyl)-1-pentene-3-one is C12H14O2.
What is the molecular weight of 1-(4-Methoxyphenyl)-1-pentene-3-one?
The molecular weight of 1-(4-Methoxyphenyl)-1-pentene-3-one is 190.10 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-1-pentene-3-one?
You can request a quote for 1-(4-Methoxyphenyl)-1-pentene-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)-1-pentene-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-1-pentene-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.