4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one
TL;DR: 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one (CAS 41301-27-3) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one
Also Known As: Propargylone, (S)-Propargylone, 1-Phenylcyclohexylaminehydrochloride, (4S)-4-HYDROXY-3-METHYL-2-PROP-2-YNYL-CYCLOPENT-2-EN-1-ONE, (4S)-4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 41301-27-3 |
|---|---|
| SMILES | CC1=C(C(=O)C[C@@H]1O)CC#C |
| InChIKey | ISFGTDAAYLSOFY-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one (CAS 41301-27-3), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: (4S)-4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one.
Chemical Property Profile of 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one
Property Insights of 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one
The XLogP value of -0.1 indicates that 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one has 1 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-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one?
The CAS number of 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one is 41301-27-3.
What is the molecular formula of 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one?
The molecular formula of 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one is C9H10O2.
What is the molecular weight of 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one?
The molecular weight of 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one is 150.07 g/mol.
Where can I buy 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one?
You can request a quote for 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.