5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one
TL;DR: 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one (CAS 100096-06-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(furan-2-ylmethylidene)-2,2-dimethyloxan-4-one
Also Known As: BAS 02141779, IDI1_020805, 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one, AE-848/13197737, (5E)-5-(furan-2-ylmethylidene)-2,2-dimethyloxan-4-one
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.431 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 385.00955 |
Chemical Identifiers
| CAS Number | 100096-06-8 |
|---|---|
| SMILES | CC1(CC(=O)/C(=C/C2=CC=CO2)/CO1)C |
Product Overview
5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one (CAS 100096-06-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: (5E)-5-(furan-2-ylmethylidene)-2,2-dimethyloxan-4-one.
Chemical Property Profile of 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one
Property Insights of 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one
The XLogP value of 2.431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one. With a topological polar surface area (TPSA) of 39.44 Ų, 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one 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 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one?
The CAS number of 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one is 100096-06-8.
What is the molecular formula of 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one?
The molecular formula of 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one is C12H14O3.
What is the molecular weight of 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one?
The molecular weight of 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one is 206.09 g/mol.
Where can I buy 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one?
You can request a quote for 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-furylmethylene)-2,2-dimethyltetrahydro-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.