4-Methoxy-3-penten-2-one
TL;DR: 4-Methoxy-3-penten-2-one (CAS 2845-83-2) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxypent-3-en-2-one
Also Known As: 4-Methoxypent-3-en-2-one, 4-methoxy-3-penten-2-one, 3-Penten-2-one,4-methoxy-, 3-Penten-2-one, 4-methoxy-, (Z)-4-methoxypent-3-en-2-one
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 2845-83-2 |
|---|---|
| SMILES | CC(=CC(=O)C)OC |
| InChIKey | CDWAKLKSWYVUSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-3-penten-2-one (CAS 2845-83-2), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 4-methoxypent-3-en-2-one.
Chemical Property Profile of 4-Methoxy-3-penten-2-one
Property Insights of 4-Methoxy-3-penten-2-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-penten-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methoxy-3-penten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-3-penten-2-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 4-Methoxy-3-penten-2-one?
The CAS number of 4-Methoxy-3-penten-2-one is 2845-83-2.
What is the molecular formula of 4-Methoxy-3-penten-2-one?
The molecular formula of 4-Methoxy-3-penten-2-one is C6H10O2.
What is the molecular weight of 4-Methoxy-3-penten-2-one?
The molecular weight of 4-Methoxy-3-penten-2-one is 114.07 g/mol.
Where can I buy 4-Methoxy-3-penten-2-one?
You can request a quote for 4-Methoxy-3-penten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-penten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-penten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.