2,4-Pentanedione, 3-(2-furanylmethylene)-
TL;DR: 2,4-Pentanedione, 3-(2-furanylmethylene)- (CAS 4728-04-5) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethylidene)pentane-2,4-dione
Also Known As: 3- -2,4-pentanedione, 3-(2-furylmethylene)-2, 2,4-Pentanedione, 3-(2-furanylmethylene)-, 3-(2-furylmethylene)-2,4-pentanedione, 3-(2-Furanylmethylene)-2,4-pentanedione
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 4728-04-5 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=CO1)C(=O)C |
| InChIKey | LYUYRWISWALFBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pentanedione, 3-(2-furanylmethylene)- (CAS 4728-04-5), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3-(furan-2-ylmethylidene)pentane-2,4-dione.
Chemical Property Profile of 2,4-Pentanedione, 3-(2-furanylmethylene)-
Property Insights of 2,4-Pentanedione, 3-(2-furanylmethylene)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanedione, 3-(2-furanylmethylene)-. With a topological polar surface area (TPSA) of 47.3 Ų, 2,4-Pentanedione, 3-(2-furanylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentanedione, 3-(2-furanylmethylene)- 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 2,4-Pentanedione, 3-(2-furanylmethylene)-?
The CAS number of 2,4-Pentanedione, 3-(2-furanylmethylene)- is 4728-04-5.
What is the molecular formula of 2,4-Pentanedione, 3-(2-furanylmethylene)-?
The molecular formula of 2,4-Pentanedione, 3-(2-furanylmethylene)- is C10H10O3.
What is the molecular weight of 2,4-Pentanedione, 3-(2-furanylmethylene)-?
The molecular weight of 2,4-Pentanedione, 3-(2-furanylmethylene)- is 178.06 g/mol.
Where can I buy 2,4-Pentanedione, 3-(2-furanylmethylene)-?
You can request a quote for 2,4-Pentanedione, 3-(2-furanylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanedione, 3-(2-furanylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 3-(2-furanylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.