4-Butyl-1,3-cyclopentanedione
TL;DR: 4-Butyl-1,3-cyclopentanedione (CAS 54244-72-3) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butylcyclopentane-1,3-dione
Also Known As: 4-butylcyclopentane-1,3-dione, 4-BUTYL-1,3-CYCLOPENTANEDIONE, 1,3-Cyclopentanedione, 4-butyl-, 1,3-Cyclopentanedione,4-butyl, 4-Butyl-1,3-cyclopentanedione #
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 54244-72-3 |
|---|---|
| SMILES | CCCCC1CC(=O)CC1=O |
| InChIKey | UDVQUWZQMOBAGE-UHFFFAOYSA-N |
Product Overview
4-Butyl-1,3-cyclopentanedione (CAS 54244-72-3), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 4-butylcyclopentane-1,3-dione.
Chemical Property Profile of 4-Butyl-1,3-cyclopentanedione
Property Insights of 4-Butyl-1,3-cyclopentanedione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyl-1,3-cyclopentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Butyl-1,3-cyclopentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butyl-1,3-cyclopentanedione 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-Butyl-1,3-cyclopentanedione?
The CAS number of 4-Butyl-1,3-cyclopentanedione is 54244-72-3.
What is the molecular formula of 4-Butyl-1,3-cyclopentanedione?
The molecular formula of 4-Butyl-1,3-cyclopentanedione is C9H14O2.
What is the molecular weight of 4-Butyl-1,3-cyclopentanedione?
The molecular weight of 4-Butyl-1,3-cyclopentanedione is 154.10 g/mol.
Where can I buy 4-Butyl-1,3-cyclopentanedione?
You can request a quote for 4-Butyl-1,3-cyclopentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-1,3-cyclopentanedione?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-1,3-cyclopentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.