3,3-dimethylfuran-2,4(3H,5H)-dione
TL;DR: 3,3-dimethylfuran-2,4(3H,5H)-dione (CAS 5436-15-7) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyloxolane-2,4-dione
Also Known As: 3,3-dimethyloxolane-2,4-dione, 3,3-Dimethylfuran-2,4(3H,5H)-dione, 3,3-Dimethyl-furan-2,4-dione, 3,3-dimethyl-2,4(3H,5H)-furandione, dimethyl-2,4-ox-azolidinedione
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 5436-15-7 |
|---|---|
| SMILES | CC1(C(=O)COC1=O)C |
| InChIKey | IIGNDGQXVATIQU-UHFFFAOYSA-N |
Product Overview
3,3-dimethylfuran-2,4(3H,5H)-dione (CAS 5436-15-7), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: 3,3-dimethyloxolane-2,4-dione.
Chemical Property Profile of 3,3-dimethylfuran-2,4(3H,5H)-dione
Property Insights of 3,3-dimethylfuran-2,4(3H,5H)-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethylfuran-2,4(3H,5H)-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3,3-dimethylfuran-2,4(3H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethylfuran-2,4(3H,5H)-dione 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 3,3-dimethylfuran-2,4(3H,5H)-dione?
The CAS number of 3,3-dimethylfuran-2,4(3H,5H)-dione is 5436-15-7.
What is the molecular formula of 3,3-dimethylfuran-2,4(3H,5H)-dione?
The molecular formula of 3,3-dimethylfuran-2,4(3H,5H)-dione is C6H8O3.
What is the molecular weight of 3,3-dimethylfuran-2,4(3H,5H)-dione?
The molecular weight of 3,3-dimethylfuran-2,4(3H,5H)-dione is 128.05 g/mol.
Where can I buy 3,3-dimethylfuran-2,4(3H,5H)-dione?
You can request a quote for 3,3-dimethylfuran-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethylfuran-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethylfuran-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.