3-(1-Methylethyl)pentane-2,4-dione
TL;DR: 3-(1-Methylethyl)pentane-2,4-dione (CAS 1540-38-1) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylpentane-2,4-dione
Also Known As: Isopropylacetylacetone, 3-(1-Methylethyl)pentane-2,4-dione, 2, 3-isopropyl-, 3-propan-2-ylpentane-2,4-dione, 2,4-Pentanedione, 3-isopropyl-
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 1540-38-1 |
|---|---|
| SMILES | CC(C)C(C(=O)C)C(=O)C |
| InChIKey | BPIHCIRSGQKCLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Methylethyl)pentane-2,4-dione (CAS 1540-38-1), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 3-propan-2-ylpentane-2,4-dione.
Chemical Property Profile of 3-(1-Methylethyl)pentane-2,4-dione
Property Insights of 3-(1-Methylethyl)pentane-2,4-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methylethyl)pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-(1-Methylethyl)pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methylethyl)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-(1-Methylethyl)pentane-2,4-dione?
The CAS number of 3-(1-Methylethyl)pentane-2,4-dione is 1540-38-1.
What is the molecular formula of 3-(1-Methylethyl)pentane-2,4-dione?
The molecular formula of 3-(1-Methylethyl)pentane-2,4-dione is C8H14O2.
What is the molecular weight of 3-(1-Methylethyl)pentane-2,4-dione?
The molecular weight of 3-(1-Methylethyl)pentane-2,4-dione is 142.10 g/mol.
Where can I buy 3-(1-Methylethyl)pentane-2,4-dione?
You can request a quote for 3-(1-Methylethyl)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-(1-Methylethyl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methylethyl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.