Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-
TL;DR: Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- (CAS 87819-11-2) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzonitrile
Also Known As: Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-, 2-({[1-Methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}methyl)benzonitrile, 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzonitrile
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 87819-11-2 |
|---|---|
| SMILES | CC(C)C12CCC(O1)(C(C2)OCC3=CC=CC=C3C#N)C |
| InChIKey | UKHLWIZINGQJQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- (CAS 87819-11-2), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-
Property Insights of Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-
The XLogP value of 3.2 indicates that Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- has 0 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 Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-?
The CAS number of Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- is 87819-11-2.
What is the molecular formula of Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-?
The molecular formula of Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- is C18H23NO2.
What is the molecular weight of Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-?
The molecular weight of Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- is 285.17 g/mol.
Where can I buy Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-?
You can request a quote for Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(((1-methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.