![4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile structure](/static/products/500/500117-86-2.png)
4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile
TL;DR: 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile (CAS 500117-86-2) is a chemical compound with molecular formula C22H18N4O2 and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-(benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]benzonitrile
Also Known As: 4-[4-[3-(benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]benzonitrile, 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile, 4'-(3-(1H-benzo[d][1,2,3]triazol-1-yl)-2-hydroxypropoxy)-[1,1'-biphenyl]-4-carbonitrile, 4'-[3-(1H-1,2,3-benzotriazol-1-yl)-2-hydroxypropoxy][1,1'-biphenyl]-4-carbonitrile
| Molecular Formula | C22H18N4O2 |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.14297 |
| Heavy Atoms | 28 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 500117-86-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC(COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)O |
| InChIKey | YCYFLHCSXRDZFY-UHFFFAOYSA-N |
Product Overview
4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile (CAS 500117-86-2), with molecular formula C22H18N4O2 and molecular weight 370.14 g/mol. IUPAC: 4-[4-[3-(benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]benzonitrile.
Chemical Property Profile of 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile
Property Insights of 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile
The XLogP value of 3.6 indicates that 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile. Following Lipinski's Rule of Five, 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile has 1 hydrogen bond donor(s) and 5 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'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile?
The CAS number of 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile is 500117-86-2.
What is the molecular formula of 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile?
The molecular formula of 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile is C22H18N4O2.
What is the molecular weight of 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile?
The molecular weight of 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile is 370.14 g/mol.
Where can I buy 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile?
You can request a quote for 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4'-[3-(1H-benzotriazol-1-yl)-2-hydroxypropoxy]biphenyl-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.