![4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile structure](/static/products/333/333436-88-7.png)
4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile
TL;DR: 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile (CAS 333436-88-7) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile
Also Known As: 4-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile, 4'-[3-(dimethylamino)-2-hydroxypropoxy]biphenyl-4-carbonitrile, 4-[4-[3-(dimethylamino)-2-hydroxy-propoxy]phenyl]benzonitrile, 4'-(3-(dimethylamino)-2-hydroxypropoxy)-[1,1'-biphenyl]-4-carbonitrile, 4-[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile
| Molecular Formula | C18H20N2O2 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.15247 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 333436-88-7 |
|---|---|
| SMILES | CN(C)CC(COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)O |
| InChIKey | BXWCXXAEFHAIBQ-UHFFFAOYSA-N |
Product Overview
4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile (CAS 333436-88-7), with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol. IUPAC: 4-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile.
Chemical Property Profile of 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile
Property Insights of 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile. With a topological polar surface area (TPSA) of 56.5 Ų, 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile has 1 hydrogen bond donor(s) and 4 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 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile?
The CAS number of 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile is 333436-88-7.
What is the molecular formula of 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile?
The molecular formula of 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile is C18H20N2O2.
What is the molecular weight of 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile?
The molecular weight of 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile is 296.15 g/mol.
Where can I buy 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile?
You can request a quote for 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-[3-(Dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.