1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran
TL;DR: 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran (CAS 5263-63-8) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxatricyclo[5.2.1.02,6]dec-8-ene
Also Known As: endo-4-Oxatricyclo[5.2.1.0(2,6)]dec-8-ene, 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran, 4,7-Methanoisobenzofuran, 1,3,3a,4,7,7a-hexahydro-, 1,3,3a,4,7,7a-Hexahydro-4,7-methano-2-benzofuran, RefChem:216762
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 5263-63-8 |
|---|---|
| SMILES | C1C2C=CC1C3C2COC3 |
| InChIKey | KTONMPPWCXZPDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran (CAS 5263-63-8), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 4-oxatricyclo[5.2.1.02,6]dec-8-ene.
Chemical Property Profile of 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran
Property Insights of 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran has 0 hydrogen bond donor(s) and 1 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 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran?
The CAS number of 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran is 5263-63-8.
What is the molecular formula of 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran?
The molecular formula of 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran is C9H12O.
What is the molecular weight of 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran?
The molecular weight of 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran is 136.09 g/mol.
Where can I buy 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran?
You can request a quote for 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.