2,5-二甲基-3(2H)-呋喃酮
TL;DR: 2,5-二甲基-3(2H)-呋喃酮 (CAS 14400-67-0) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二甲基-3(2H)-呋喃酮
2,5-dimethylfuran-3-one
Also Known As: 2,5-Dimethyl-3(2H)-furanone, 2,5-Dimethylfuran-3(2H)-one, mango furanone, 2,5-dimethylfuran-3-one, null
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 147.0 |
| Density | 1.041-1.057 |
| Solubility | Practically insoluble or insoluble |
| Refractive Index | 1.470-1.480 |
Chemical Identifiers
| CAS Number | 14400-67-0 |
|---|---|
| SMILES | CC1C(=O)C=C(O1)C |
| InChIKey | ASOSVCXGWPDUGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二甲基-3(2H)-呋喃酮 (CAS 14400-67-0), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 2,5-dimethylfuran-3-one.
Chemical Property Profile of 2,5-二甲基-3(2H)-呋喃酮
Property Insights of 2,5-二甲基-3(2H)-呋喃酮
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-二甲基-3(2H)-呋喃酮. With a topological polar surface area (TPSA) of 26.3 Ų, 2,5-二甲基-3(2H)-呋喃酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-二甲基-3(2H)-呋喃酮 has 0 hydrogen bond donor(s) and 2 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 2,5-二甲基-3(2H)-呋喃酮?
The CAS number of 2,5-二甲基-3(2H)-呋喃酮 is 14400-67-0.
What is the molecular formula of 2,5-二甲基-3(2H)-呋喃酮?
The molecular formula of 2,5-二甲基-3(2H)-呋喃酮 is C6H8O2.
What is the molecular weight of 2,5-二甲基-3(2H)-呋喃酮?
The molecular weight of 2,5-二甲基-3(2H)-呋喃酮 is 112.05 g/mol.
Where can I buy 2,5-二甲基-3(2H)-呋喃酮?
You can request a quote for 2,5-二甲基-3(2H)-呋喃酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二甲基-3(2H)-呋喃酮?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二甲基-3(2H)-呋喃酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.