3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one
TL;DR: 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one (CAS 22619-87-0) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-one
Also Known As: 1-Hexadecanol,benzoate, NCIOpen2_001511, 3a,7a-dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 22619-87-0 |
|---|---|
| SMILES | CC12CC(=O)OC1(C3CCC2C3)C |
| InChIKey | ZVZZMBPWOUJSTD-UHFFFAOYSA-N |
Product Overview
3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one (CAS 22619-87-0), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 2,6-dimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-one.
Chemical Property Profile of 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one
Property Insights of 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,7a-Dimethylhexahydro-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 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one?
The CAS number of 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one is 22619-87-0.
What is the molecular formula of 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one?
The molecular formula of 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one is C11H16O2.
What is the molecular weight of 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one?
The molecular weight of 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one is 180.12 g/mol.
Where can I buy 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one?
You can request a quote for 3a,7a-Dimethylhexahydro-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 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3a,7a-Dimethylhexahydro-4,7-methano-1-benzofuran-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.