(3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
TL;DR: (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene (CAS 52772-40-4) 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.
9-phenoxytricyclo[5.2.1.02,6]dec-3-ene
Also Known As: 9-phenoxytricyclo[5.2.1.0^{2,6}]dec-3-ene, 9-phenoxytricyclo[5.2.1.02,6]dec-3-ene, 9-phenoxytricyclo[5.2.1.0(2),]dec-3-ene, VU0493981-1, F0701-0086
| Molecular Formula | C16H18O |
|---|---|
| Molecular Weight | 226.14 g/mol |
| LogP | 3.6661 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.13577 |
| Heavy Atoms | 17 |
| Complexity | 436.0982 |
Chemical Identifiers
| CAS Number | 52772-40-4 |
|---|---|
| SMILES | C1C=CC2C1C3CC2C(C3)OC4=CC=CC=C4 |
Product Overview
(3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene (CAS 52772-40-4), with molecular formula C16H18O and molecular weight 226.14 g/mol. IUPAC: 9-phenoxytricyclo[5.2.1.02,6]dec-3-ene.
Chemical Property Profile of (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
Property Insights of (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
The XLogP value of 3.6661 indicates that (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene 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 (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene?
The CAS number of (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene is 52772-40-4.
What is the molecular formula of (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene?
The molecular formula of (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene is C16H18O.
What is the molecular weight of (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene?
The molecular weight of (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene is 226.14 g/mol.
Where can I buy (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene?
You can request a quote for (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene?
Yes, KEHONG BIO provides custom synthesis services for (3aS,5S,7aS)-5-phenoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.