![2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile structure](/static/products/5423/54239-59-7.webp)
2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile
TL;DR: 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile (CAS 54239-59-7) is a chemical compound with molecular formula C13H18ClN3O and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile
Also Known As: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile, 1-(4'-Amino-3'-chloro-5'-cyano-phenyl)-2-tert.butylamino-ethanol, Benzonitrile, 2-amino-3-chloro-5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 2-amino-3-chloro-5-[1-hydroxy-2-(tert-butylamino)ethyl]benzonitrile
| Molecular Formula | C13H18ClN3O |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.11383 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 54239-59-7 |
|---|---|
| SMILES | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C#N)O |
| InChIKey | CGCHJJMCSJZEGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile (CAS 54239-59-7), with molecular formula C13H18ClN3O and molecular weight 267.11 g/mol. IUPAC: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile.
Chemical Property Profile of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile
Property Insights of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile. Following Lipinski's Rule of Five, 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile has 3 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 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile?
The CAS number of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile is 54239-59-7.
What is the molecular formula of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile?
The molecular formula of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile is C13H18ClN3O.
What is the molecular weight of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile?
The molecular weight of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile is 267.11 g/mol.
Where can I buy 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile?
You can request a quote for 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.