2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
TL;DR: 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran (CAS 70786-44-6) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
Also Known As: Dill ether, Anethofuran, (-)-Dill ether, 3,9-Epoxy-p-menth-1-en, 3,9-Epoxy-p-menth-1-ene
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 70786-44-6 |
|---|---|
| SMILES | CC1COC2C1CCC(=C2)C |
| InChIKey | KBPPPUZMFQKLNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran (CAS 70786-44-6), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran.
Chemical Property Profile of 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
Property Insights of 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran 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 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran?
The CAS number of 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran is 70786-44-6.
What is the molecular formula of 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran?
The molecular formula of 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran is C10H16O.
What is the molecular weight of 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran?
The molecular weight of 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran is 152.12 g/mol.
Where can I buy 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran?
You can request a quote for 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.