5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
TL;DR: 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 71840-39-6) 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.
5-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, Maleic-anhydride of 2-Phenyl-1,3-butadione, 5-phenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-phenyl-, 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione #
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 1.9 |
| 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 | 377.0 |
Chemical Identifiers
| CAS Number | 71840-39-6 |
|---|---|
| SMILES | C1C=C(CC2C1C(=O)OC2=O)C3=CC=CC=C3 |
| InChIKey | JKYWPOLMZPJQML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 71840-39-6), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 5-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Property Insights of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione 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 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The CAS number of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 71840-39-6.
What is the molecular formula of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular formula of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is C14H12O3.
What is the molecular weight of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular weight of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 228.08 g/mol.
Where can I buy 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
You can request a quote for 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.