![1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate structure](/static/products/1305/1305261-70-4.webp)
1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate
TL;DR: 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate (CAS 1305261-70-4) is a chemical compound with molecular formula C17H20N2O and molecular weight 268.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolin-1-ium-4-olate
Also Known As: ZERO/005309, 1-[4-(cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolin-1-ium-4-olate, 1-[4-(cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate, 2-[4-(5-hydroxy-2-azabicyclo[4.4.0]dec-5-en-2-yl)phenyl]ethanenitrile
| Molecular Formula | C17H20N2O |
|---|---|
| Molecular Weight | 268.16 g/mol |
| LogP | 1.22978 |
| Topological Polar Surface Area | 51.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.15756 |
| Heavy Atoms | 20 |
| Complexity | 553.3479 |
Chemical Identifiers
| CAS Number | 1305261-70-4 |
|---|---|
| SMILES | C1CCC2=C(CC[NH+](C2C1)C3=CC=C(C=C3)CC#N)[O-] |
Product Overview
1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate (CAS 1305261-70-4), with molecular formula C17H20N2O and molecular weight 268.16 g/mol. IUPAC: 1-[4-(cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolin-1-ium-4-olate.
Chemical Property Profile of 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate
Property Insights of 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate
The XLogP value of 1.22978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate. With a topological polar surface area (TPSA) of 51.29 Ų, 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate has 1 hydrogen bond donor(s) and 2 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 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate?
The CAS number of 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate is 1305261-70-4.
What is the molecular formula of 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate?
The molecular formula of 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate is C17H20N2O.
What is the molecular weight of 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate?
The molecular weight of 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate is 268.16 g/mol.
Where can I buy 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate?
You can request a quote for 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Cyanomethyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroquinolinium-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.