3-(Prop-2-yn-1-yl)pentane-2,4-dione
TL;DR: 3-(Prop-2-yn-1-yl)pentane-2,4-dione (CAS 38352-91-9) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynylpentane-2,4-dione
Also Known As: 3-(prop-2-yn-1-yl)pentane-2,4-dione, 3-prop-2-ynylpentane-2,4-dione, 2,4-Pentanedione, 3-(2-propynyl)-, 1-acetyl-3-butynyl methyl ketone, 3-Propargyl-2,4-pentanedione
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 0.8039 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 171.9245 |
Chemical Identifiers
| CAS Number | 38352-91-9 |
|---|---|
| SMILES | CC(=O)C(CC#C)C(=O)C |
Product Overview
3-(Prop-2-yn-1-yl)pentane-2,4-dione (CAS 38352-91-9), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 3-prop-2-ynylpentane-2,4-dione.
Chemical Property Profile of 3-(Prop-2-yn-1-yl)pentane-2,4-dione
Property Insights of 3-(Prop-2-yn-1-yl)pentane-2,4-dione
The XLogP value of 0.8039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Prop-2-yn-1-yl)pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 3-(Prop-2-yn-1-yl)pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Prop-2-yn-1-yl)pentane-2,4-dione 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 3-(Prop-2-yn-1-yl)pentane-2,4-dione?
The CAS number of 3-(Prop-2-yn-1-yl)pentane-2,4-dione is 38352-91-9.
What is the molecular formula of 3-(Prop-2-yn-1-yl)pentane-2,4-dione?
The molecular formula of 3-(Prop-2-yn-1-yl)pentane-2,4-dione is C8H10O2.
What is the molecular weight of 3-(Prop-2-yn-1-yl)pentane-2,4-dione?
The molecular weight of 3-(Prop-2-yn-1-yl)pentane-2,4-dione is 138.07 g/mol.
Where can I buy 3-(Prop-2-yn-1-yl)pentane-2,4-dione?
You can request a quote for 3-(Prop-2-yn-1-yl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Prop-2-yn-1-yl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Prop-2-yn-1-yl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.