Citraconic Anhydrides
TL;DR: Citraconic Anhydrides (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.
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
Citraconic Anhydrides (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 Citraconic Anhydrides
Property Insights of Citraconic Anhydrides
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Citraconic Anhydrides. With a topological polar surface area (TPSA) of 43.4 Ų, Citraconic Anhydrides exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citraconic Anhydrides 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 Citraconic Anhydrides?
The CAS number of Citraconic Anhydrides is 616-02-4.
What is the molecular formula of Citraconic Anhydrides?
The molecular formula of Citraconic Anhydrides is C5H4O3.
What is the molecular weight of Citraconic Anhydrides?
The molecular weight of Citraconic Anhydrides is 112.02 g/mol.
Where can I buy Citraconic Anhydrides?
You can request a quote for Citraconic Anhydrides directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citraconic Anhydrides?
Yes, KEHONG BIO provides custom synthesis services for Citraconic Anhydrides and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.