![3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile structure](/static/products/3585/35859-48-4.webp)
3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile
TL;DR: 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile (CAS 35859-48-4) is a chemical compound with molecular formula C21H26N2O and molecular weight 322.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methyl-methylamino]propanenitrile
Also Known As: 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile, 3-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methyl-methylamino, 3-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methyl-methylamino]propanenitrile, 2-Phenyl-4-t-butyl-6-[N-methyl-N-[2-cynoethyl]]aminomethylphenol, 3-[(2-hydroxy-3-phenyl-5-tert-butyl-phenyl)methyl-methyl-amino]propanenitrile
| Molecular Formula | C21H26N2O |
|---|---|
| Molecular Weight | 322.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.2045 |
| Heavy Atoms | 24 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 35859-48-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)O)CN(C)CCC#N |
| InChIKey | RMJBSQWMQBQVGK-UHFFFAOYSA-N |
Product Overview
3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile (CAS 35859-48-4), with molecular formula C21H26N2O and molecular weight 322.20 g/mol. IUPAC: 3-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methyl-methylamino]propanenitrile.
Chemical Property Profile of 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile
Property Insights of 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile
The XLogP value of 4.4 indicates that 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile has 1 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 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile?
The CAS number of 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile is 35859-48-4.
What is the molecular formula of 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile?
The molecular formula of 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile is C21H26N2O.
What is the molecular weight of 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile?
The molecular weight of 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile is 322.20 g/mol.
Where can I buy 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile?
You can request a quote for 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)methyl](methyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.