7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one
TL;DR: 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one (CAS 67498-57-1) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-methylidene-3-oxatricyclo[5.2.1.02,6]decan-4-one
Also Known As: 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 67498-57-1 |
|---|---|
| SMILES | CC12C3CCC(C3)C1C(=C)C(=O)O2 |
| InChIKey | SDEVQQAGBWZTRK-UHFFFAOYSA-N |
Product Overview
7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one (CAS 67498-57-1), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-methyl-5-methylidene-3-oxatricyclo[5.2.1.02,6]decan-4-one.
Chemical Property Profile of 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one
Property Insights of 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one has 0 hydrogen bond donor(s) and 2 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 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one?
The CAS number of 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one is 67498-57-1.
What is the molecular formula of 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one?
The molecular formula of 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one is C11H14O2.
What is the molecular weight of 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one?
The molecular weight of 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one is 178.10 g/mol.
Where can I buy 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one?
You can request a quote for 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.