柠康酸酐
TL;DR: 柠康酸酐 (CAS 616-02-4) is a chemical compound with molecular formula C5H4O3 and molecular weight 112.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠康酸酐
3-methylfuran-2,5-dione
Also Known As: Citraconic anhydride, 3-methylfuran-2,5-dione, 2-Methylmaleic anhydride, 2,5-Furandione, 3-methyl-, METHYLMALEIC ANHYDRIDE
| Molecular Formula | C5H4O3 |
|---|---|
| Molecular Weight | 112.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.016045 |
| Heavy Atoms | 8 |
| Complexity | 178.0 |
| Melting Point | 7-8 °C |
| Boiling Point | 213-214 °C @ 760 MM HG |
| Density | 1.2469 @ 16 °C |
| Solubility | SOL IN ALCOHOL, ETHER, ACETONE |
| Vapor Pressure | 1 MM HG @ 47.1 °C |
| Refractive Index | 1.4716 at 21 °C |
Chemical Identifiers
| CAS Number | 616-02-4 |
|---|---|
| SMILES | CC1=CC(=O)OC1=O |
| InChIKey | AYKYXWQEBUNJCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
柠康酸酐 (CAS 616-02-4), with molecular formula C5H4O3 and molecular weight 112.02 g/mol. IUPAC: 3-methylfuran-2,5-dione.
Chemical Property Profile of 柠康酸酐
Property Insights of 柠康酸酐
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 柠康酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 柠康酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 柠康酸酐 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 柠康酸酐?
The CAS number of 柠康酸酐 is 616-02-4.
What is the molecular formula of 柠康酸酐?
The molecular formula of 柠康酸酐 is C5H4O3.
What is the molecular weight of 柠康酸酐?
The molecular weight of 柠康酸酐 is 112.02 g/mol.
Where can I buy 柠康酸酐?
You can request a quote for 柠康酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠康酸酐?
Yes, KEHONG BIO provides custom synthesis services for 柠康酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.