2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol
TL;DR: 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol (CAS 7225-59-4) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-3-yl)-1-(5,5,9-trimethyl-10-oxatricyclo[7.2.1.01,6]dodecan-12-yl)ethanol
Also Known As: 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 4.1946 |
| Topological Polar Surface Area | 42.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 563.4517 |
Chemical Identifiers
| CAS Number | 7225-59-4 |
|---|---|
| SMILES | CC1(CCCC23C1CCC(C2C(CC4=COC=C4)O)(OC3)C)C |
Product Overview
2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol (CAS 7225-59-4), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: 2-(furan-3-yl)-1-(5,5,9-trimethyl-10-oxatricyclo[7.2.1.01,6]dodecan-12-yl)ethanol.
Chemical Property Profile of 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol
Property Insights of 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol
The XLogP value of 4.1946 indicates that 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.6 Ų, 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol has 1 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 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol?
The CAS number of 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol is 7225-59-4.
What is the molecular formula of 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol?
The molecular formula of 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol is C20H30O3.
What is the molecular weight of 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol?
The molecular weight of 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol is 318.22 g/mol.
Where can I buy 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol?
You can request a quote for 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Furan-3-yl)-1-(3,6,6-trimethyloctahydro-1H-3,9a-methano-2-benzoxepin-10-yl)ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.