1-Penten-3-one, 2-methyl-
TL;DR: 1-Penten-3-one, 2-methyl- (CAS 25044-01-3) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpent-1-en-3-one
Also Known As: 2-methylpent-1-en-3-one, 2-METHYL-1-PENTEN-3-ONE, Isopropenyl ethyl ketone, 1-Penten-3-one, 2-methyl-, Ethyl isopropenyl ketone
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 25044-01-3 |
|---|---|
| SMILES | CCC(=O)C(=C)C |
| InChIKey | GHHGVSCQWPVENX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Penten-3-one, 2-methyl- (CAS 25044-01-3), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 2-methylpent-1-en-3-one.
Chemical Property Profile of 1-Penten-3-one, 2-methyl-
Property Insights of 1-Penten-3-one, 2-methyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-one, 2-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Penten-3-one, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 2-methyl- 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 1-Penten-3-one, 2-methyl-?
The CAS number of 1-Penten-3-one, 2-methyl- is 25044-01-3.
What is the molecular formula of 1-Penten-3-one, 2-methyl-?
The molecular formula of 1-Penten-3-one, 2-methyl- is C6H10O.
What is the molecular weight of 1-Penten-3-one, 2-methyl-?
The molecular weight of 1-Penten-3-one, 2-methyl- is 98.07 g/mol.
Where can I buy 1-Penten-3-one, 2-methyl-?
You can request a quote for 1-Penten-3-one, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-one, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.