1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran
TL;DR: 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran (CAS 14882-64-5) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene
Also Known As: 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran, 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene, 1,3-Dimethoxy-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzofuran, 1,3,3a,4,7,7-, A-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.3999 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 239.25826 |
Chemical Identifiers
| CAS Number | 14882-64-5 |
|---|---|
| SMILES | COC1C2C3CC(C2C(O1)OC)C=C3 |
Product Overview
1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran (CAS 14882-64-5), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene.
Chemical Property Profile of 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran
Property Insights of 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran
The XLogP value of 1.3999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran. With a topological polar surface area (TPSA) of 27.69 Ų, 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran 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 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran?
The CAS number of 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran is 14882-64-5.
What is the molecular formula of 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran?
The molecular formula of 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran is C11H16O3.
What is the molecular weight of 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran?
The molecular weight of 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran is 196.11 g/mol.
Where can I buy 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran?
You can request a quote for 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-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,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3a,4,7,7-alpha-Hexahydro-1,3-dimethoxy-4,7-methanoisobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.