1,3-Butanedione, 1-(2-furanyl)-
TL;DR: 1,3-Butanedione, 1-(2-furanyl)- (CAS 25790-35-6) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)butane-1,3-dione
Also Known As: 1-(2-Furyl)-1,3-butanedione, 2-Furoylacetone, 1-(furan-2-yl)butane-1,3-dione, Furoyl acetone, nisoldipine
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 25790-35-6 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=CO1 |
| InChIKey | GPYKJDYMMUIUFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butanedione, 1-(2-furanyl)- (CAS 25790-35-6), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 1-(furan-2-yl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 1-(2-furanyl)-
Property Insights of 1,3-Butanedione, 1-(2-furanyl)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanedione, 1-(2-furanyl)-. With a topological polar surface area (TPSA) of 47.3 Ų, 1,3-Butanedione, 1-(2-furanyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanedione, 1-(2-furanyl)- 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 1,3-Butanedione, 1-(2-furanyl)-?
The CAS number of 1,3-Butanedione, 1-(2-furanyl)- is 25790-35-6.
What is the molecular formula of 1,3-Butanedione, 1-(2-furanyl)-?
The molecular formula of 1,3-Butanedione, 1-(2-furanyl)- is C8H8O3.
What is the molecular weight of 1,3-Butanedione, 1-(2-furanyl)-?
The molecular weight of 1,3-Butanedione, 1-(2-furanyl)- is 152.05 g/mol.
Where can I buy 1,3-Butanedione, 1-(2-furanyl)-?
You can request a quote for 1,3-Butanedione, 1-(2-furanyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanedione, 1-(2-furanyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 1-(2-furanyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.