1-(2-Furyl)-1,4-pentanedione
TL;DR: 1-(2-Furyl)-1,4-pentanedione (CAS 951885-87-3) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)pentane-1,4-dione
Also Known As: 1-(furan-2-yl)pentane-1,4-dione, 1-(2-furyl)-1,4-pentanedione, 1-(2-Furyl)pentane-1,4-dione, Maybridge1_008036, 1,4-Pentanedione, 1-(2-furanyl)-
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.8315 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 271.97357 |
Chemical Identifiers
| CAS Number | 951885-87-3 |
|---|---|
| SMILES | CC(=O)CCC(=O)C1=CC=CO1 |
Product Overview
1-(2-Furyl)-1,4-pentanedione (CAS 951885-87-3), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 1-(furan-2-yl)pentane-1,4-dione.
Chemical Property Profile of 1-(2-Furyl)-1,4-pentanedione
Property Insights of 1-(2-Furyl)-1,4-pentanedione
The XLogP value of 1.8315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Furyl)-1,4-pentanedione. With a topological polar surface area (TPSA) of 47.28 Ų, 1-(2-Furyl)-1,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Furyl)-1,4-pentanedione has 0 hydrogen bond donor(s) and 3 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-(2-Furyl)-1,4-pentanedione?
The CAS number of 1-(2-Furyl)-1,4-pentanedione is 951885-87-3.
What is the molecular formula of 1-(2-Furyl)-1,4-pentanedione?
The molecular formula of 1-(2-Furyl)-1,4-pentanedione is C9H10O3.
What is the molecular weight of 1-(2-Furyl)-1,4-pentanedione?
The molecular weight of 1-(2-Furyl)-1,4-pentanedione is 166.06 g/mol.
Where can I buy 1-(2-Furyl)-1,4-pentanedione?
You can request a quote for 1-(2-Furyl)-1,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Furyl)-1,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Furyl)-1,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.