Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-
TL;DR: Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy- (CAS 83799-64-8) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-hydroxybenzonitrile
Also Known As: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-hydroxybenzonitrile, Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 83799-64-8 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=C(C=CC(=C1)O)C#N)O |
| InChIKey | RPDMVAJDHGPSAZ-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy- (CAS 83799-64-8), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-hydroxybenzonitrile.
Chemical Property Profile of Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-
Property Insights of Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-. Following Lipinski's Rule of Five, Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy- has 3 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 Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-?
The CAS number of Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy- is 83799-64-8.
What is the molecular formula of Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-?
The molecular formula of Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy- is C14H20N2O3.
What is the molecular weight of Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-?
The molecular weight of Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy- is 264.15 g/mol.
Where can I buy Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-?
You can request a quote for Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.