Cimaterol
TL;DR: Cimaterol (CAS 54239-37-1) is a chemical compound with molecular formula C12H17N3O and molecular weight 219.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile
Also Known As: cimaterol, Cimater, cimatrol, Cimaterolum, Cimaterol-d7
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.13716 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.13716 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O |
| InChIKey | BUXRLJCGHZZYNE-UHFFFAOYSA-N |
Product Description
Applications: Cimaterol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cimaterol (CAS 54239-37-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Cimaterol is a pharmaceutical intermediate identified by CAS number 54239-37-1 and the molecular formula C12H17N3O and a molecular weight of 219.14 g/mol. It is also known as cimaterol and Cimater.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cimaterol
Property Insights of Cimaterol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimaterol. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cimaterol. Following Lipinski's Rule of Five, Cimaterol 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
What is the CAS number of Cimaterol?
The CAS number of Cimaterol is 54239-37-1.
What is the molecular formula of Cimaterol?
The molecular formula of Cimaterol is C12H17N3O.
What is the molecular weight of Cimaterol?
The molecular weight of Cimaterol is 219.13716 g/mol.
What are the applications of Cimaterol?
Cimaterol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cimaterol (CAS 54239-37-1) with custom...
Where can I buy Cimaterol?
You can request a quote for Cimaterol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cimaterol?
Yes, CoreyChem provides custom synthesis services for Cimaterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.