1,4-Cyclohexadiene-1,2-dicarboxylic anhydride
TL;DR: 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride (CAS 4773-89-1) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dihydro-2-benzofuran-1,3-dione
Also Known As: 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride, 4,7-Dihydro-2-benzofuran-1,3-dione, 3,6-Dihydrophthalic anhydride, Pyridine-2,3-dicarbonitrile, 1,3-Isobenzofurandione, 4,7-dihydro-
| Molecular Formula | C8H6O3 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.0317 |
| Heavy Atoms | 11 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 4773-89-1 |
|---|---|
| SMILES | C1C=CCC2=C1C(=O)OC2=O |
| InChIKey | XCGJCRKHWHYKIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cyclohexadiene-1,2-dicarboxylic anhydride (CAS 4773-89-1), with molecular formula C8H6O3 and molecular weight 150.03 g/mol. IUPAC: 4,7-dihydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride
Property Insights of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene-1,2-dicarboxylic 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 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride?
The CAS number of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride is 4773-89-1.
What is the molecular formula of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride?
The molecular formula of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride is C8H6O3.
What is the molecular weight of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride?
The molecular weight of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride is 150.03 g/mol.
Where can I buy 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride?
You can request a quote for 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.