4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-
TL;DR: 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- (CAS 2679-19-8) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: NCIOpen2_004245, 4-Cyclohexene-1, 3-phenyl-, 4-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 3-Phenyl-4-cyclohexene-1,2-dicarboxylic anhydride, 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 2679-19-8 |
|---|---|
| SMILES | C1C=CC(C2C1C(=O)OC2=O)C3=CC=CC=C3 |
| InChIKey | SISNVYGRWPGDFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- (CAS 2679-19-8), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 4-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-
Property Insights of 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- 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 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-?
The CAS number of 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- is 2679-19-8.
What is the molecular formula of 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-?
The molecular formula of 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- is C14H12O3.
What is the molecular weight of 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-?
The molecular weight of 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- is 228.08 g/mol.
Where can I buy 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-?
You can request a quote for 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.