8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione
TL;DR: 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione (CAS 51606-73-6) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,6S,7S)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione, 4,7-methanoisobenzofuran-1,3-dione, hexahydro-8-(1-methylethylidene)-, (3aR,4R,7S,7aS)-, rel-(3aR,4R,7S,7aS)-8-(1-methylethylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione, InChI=1/C12H14O3/c1-5(2)8-6-3-4-7(8)10-9(6)11(13)15-12(10)14/h6-7,9-10H,3-4H2,1-2H3/t6-,7+,9+,10
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 51606-73-6 |
|---|---|
| SMILES | CC(=C1[C@@H]2CC[C@H]1[C@H]3[C@@H]2C(=O)OC3=O)C |
| InChIKey | JQYGJEFBLOYFRC-SWOGREBESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione (CAS 51606-73-6), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: (1R,2R,6S,7S)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione
Property Insights of 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(propan-2-ylidene)hexahydro-4,7-methano-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 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione?
The CAS number of 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione is 51606-73-6.
What is the molecular formula of 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione?
The molecular formula of 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione is C12H14O3.
What is the molecular weight of 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione?
The molecular weight of 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione is 206.09 g/mol.
Where can I buy 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione?
You can request a quote for 8-(propan-2-ylidene)hexahydro-4,7-methano-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 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(propan-2-ylidene)hexahydro-4,7-methano-2-benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.