![2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile structure](/static/products/1005/1005116-70-0.webp)
2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile
TL;DR: 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile (CAS 1005116-70-0) is a chemical compound with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]benzonitrile
Also Known As: 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile, 2-chloro-6-{[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}benzonitrile, 2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]benzonitrile, Benzonitrile, 2-chloro-6-[[1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]hept-2-yl]oxy]-, 2-chloro-6-({4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl}oxy)benzonitrile
| Molecular Formula | C17H20ClNO2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 4.32668 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.11826 |
| Heavy Atoms | 21 |
| Complexity | 609.2979 |
Chemical Identifiers
| CAS Number | 1005116-70-0 |
|---|---|
| SMILES | CC(C)C12CCC(O1)(C(C2)OC3=C(C(=CC=C3)Cl)C#N)C |
Product Overview
2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile (CAS 1005116-70-0), with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol. IUPAC: 2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]benzonitrile.
Chemical Property Profile of 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile
Property Insights of 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile
The XLogP value of 4.32668 indicates that 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile 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 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile?
The CAS number of 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile is 1005116-70-0.
What is the molecular formula of 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile?
The molecular formula of 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile is C17H20ClNO2.
What is the molecular weight of 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile?
The molecular weight of 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile is 305.12 g/mol.
Where can I buy 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile?
You can request a quote for 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.