Phenylitaconic anhydride
TL;DR: Phenylitaconic anhydride (CAS 46324-06-5) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylideneoxolane-2,5-dione
Also Known As: Phenylitaconic anhydride, benzalsuccinic acid anhydride, 3-benzylideneoxolane-2,5-dione, 2,5-Furandione,dihydro-3-(phenylmethylene)-
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 46324-06-5 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2)C(=O)OC1=O |
| InChIKey | WHRPHGQMEZWMNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylitaconic anhydride (CAS 46324-06-5), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 3-benzylideneoxolane-2,5-dione.
Chemical Property Profile of Phenylitaconic anhydride
Property Insights of Phenylitaconic anhydride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylitaconic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, Phenylitaconic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylitaconic anhydride 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 Phenylitaconic anhydride?
The CAS number of Phenylitaconic anhydride is 46324-06-5.
What is the molecular formula of Phenylitaconic anhydride?
The molecular formula of Phenylitaconic anhydride is C11H8O3.
What is the molecular weight of Phenylitaconic anhydride?
The molecular weight of Phenylitaconic anhydride is 188.05 g/mol.
Where can I buy Phenylitaconic anhydride?
You can request a quote for Phenylitaconic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylitaconic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Phenylitaconic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.