Cimbuterol
TL;DR: Cimbuterol (CAS 1246819-04-4) is a chemical compound with molecular formula C13H19N3O and molecular weight 233.15 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]benzonitrile
Also Known As: Cimbuterol, Cimbuterol-d9, 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile, MSK1311-100M, MSK1311-1000M
| Molecular Formula | C13H19N3O |
|---|---|
| Molecular Weight | 233.15 g/mol |
| LogP | 1.56198 |
| Topological Polar Surface Area | 82.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.15282 |
| Heavy Atoms | 17 |
| Complexity | 429.2712 |
Chemical Identifiers
| CAS Number | 1246819-04-4 |
|---|---|
| SMILES | CC(C)(C)NCC(C1=CC(=C(C=C1)N)C#N)O |
Product Overview
Cimbuterol (CAS 1246819-04-4), with molecular formula C13H19N3O and molecular weight 233.15 g/mol. IUPAC: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile.
Chemical Property Profile of Cimbuterol
Property Insights of Cimbuterol
The XLogP value of 1.56198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimbuterol. The TPSA of 82.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Cimbuterol. Following Lipinski's Rule of Five, Cimbuterol 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 Cimbuterol?
The CAS number of Cimbuterol is 1246819-04-4.
What is the molecular formula of Cimbuterol?
The molecular formula of Cimbuterol is C13H19N3O.
What is the molecular weight of Cimbuterol?
The molecular weight of Cimbuterol is 233.15 g/mol.
Where can I buy Cimbuterol?
You can request a quote for Cimbuterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cimbuterol?
Yes, KEHONG BIO provides custom synthesis services for Cimbuterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.