4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
TL;DR: 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 20929-46-8) is a chemical compound with molecular formula C20H16O3 and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 3,6-Diphenyl-4-cyclohexene-1,2-dicarboxylic anhydride, 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 4,7-Diphenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, BAS 00389619, AN-584/03452048
| Molecular Formula | C20H16O3 |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.10995 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 20929-46-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C=CC(C3C2C(=O)OC3=O)C4=CC=CC=C4 |
| InChIKey | QBTDNXVTAHQRRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CAS 20929-46-8), with molecular formula C20H16O3 and molecular weight 304.11 g/mol. IUPAC: 4,7-diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Property Insights of 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
The XLogP value of 3.7 indicates that 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4,7-Diphenyl-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, 4,7-Diphenyl-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 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The CAS number of 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 20929-46-8.
What is the molecular formula of 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular formula of 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is C20H16O3.
What is the molecular weight of 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The molecular weight of 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is 304.11 g/mol.
Where can I buy 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
You can request a quote for 4,7-Diphenyl-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 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.