四氢萘二酐
TL;DR: 四氢萘二酐 (CAS 13912-65-7) is a chemical compound with molecular formula C16H12O6 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢萘二酐
5-(2,5-dioxooxolan-3-yl)-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione
Also Known As: Tetralin dianhydride, 4-(2,5-Dioxotetrahydrofuran-3-yl)-1,2,3,4-tetrahydronaphthalene-1,2-dicarboxylic Anhydride, 5-(2,5-Dioxotetrahydrofuran-3-yl)-4,5-dihydronaphtho[1,2-c]furan-1,3(3aH,9bH)-dione, 4-(2,5-Dioxotetrahydrofuran-3-yl)-tetralin-1,2-dicarboxylic Anhydride, 5-(2,5-dioxooxolan-3-yl)-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione
| Molecular Formula | C16H12O6 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.0634 |
| Heavy Atoms | 22 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 13912-65-7 |
|---|---|
| SMILES | C1C(C2=CC=CC=C2C3C1C(=O)OC3=O)C4CC(=O)OC4=O |
| InChIKey | JYCTWJFSRDBYJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢萘二酐 (CAS 13912-65-7), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: 5-(2,5-dioxooxolan-3-yl)-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione.
Chemical Property Profile of 四氢萘二酐
Property Insights of 四氢萘二酐
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢萘二酐. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 四氢萘二酐. Following Lipinski's Rule of Five, 四氢萘二酐 has 0 hydrogen bond donor(s) and 6 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 四氢萘二酐?
The CAS number of 四氢萘二酐 is 13912-65-7.
What is the molecular formula of 四氢萘二酐?
The molecular formula of 四氢萘二酐 is C16H12O6.
What is the molecular weight of 四氢萘二酐?
The molecular weight of 四氢萘二酐 is 300.06 g/mol.
Where can I buy 四氢萘二酐?
You can request a quote for 四氢萘二酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢萘二酐?
Yes, KEHONG BIO provides custom synthesis services for 四氢萘二酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.