2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether
TL;DR: 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether (CAS 91574-89-9) is a chemical compound with molecular formula C16H18O and molecular weight 226.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-phenoxytricyclo[5.2.1.02,6]dec-8-ene
Also Known As: 2-Diphenylphosphinylvaleriansaeure, 2,3,3a,4,7,7a-hexahydro-1h-4,7-methanoinden-5-yl phenyl ether, 5-Phenoxy-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene, 2,3,3a,4,7,7a-hexahydro-1h-4,7-methanoinden-5-yl phenyl ethe
| Molecular Formula | C16H18O |
|---|---|
| Molecular Weight | 226.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.13577 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 91574-89-9 |
|---|---|
| SMILES | C1CC2C(C1)C3CC2C=C3OC4=CC=CC=C4 |
| InChIKey | NYMHXOYFUFISIS-UHFFFAOYSA-N |
Product Overview
2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether (CAS 91574-89-9), with molecular formula C16H18O and molecular weight 226.14 g/mol. IUPAC: 8-phenoxytricyclo[5.2.1.02,6]dec-8-ene.
Chemical Property Profile of 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether
Property Insights of 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether
The XLogP value of 4.3 indicates that 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether 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,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether?
The CAS number of 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether is 91574-89-9.
What is the molecular formula of 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether?
The molecular formula of 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether is C16H18O.
What is the molecular weight of 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether?
The molecular weight of 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether is 226.14 g/mol.
Where can I buy 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether?
You can request a quote for 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether 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,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3a,4,7,7a-Hexahydro-1h-4,7-methanoinden-5-yl phenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.