Esmolol Hydrochloride
TL;DR: Esmolol Hydrochloride (CAS 81161-17-3) is a chemical compound with molecular formula C16H26ClNO4 and molecular weight 331.15503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride
Also Known As: Esmolol hydrochloride, Esmolol HCL, Brevibloc, Esmolol (hydrochloride), ESMOLOL
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H26ClNO4 |
| Molecular Weight | 331.15503 g/mol |
| XLogP | 1.95 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 331.15503 Da |
| Heavy Atoms | 22 |
| Complexity | 288.0 |
| Melting Point | 85-86 °C |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl |
| InChIKey | GEKNCWBANDDJJL-UHFFFAOYSA-N |
Chemical Property Profile of Esmolol Hydrochloride
Property Insights of Esmolol Hydrochloride
The XLogP value of 1.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esmolol Hydrochloride. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Esmolol Hydrochloride. Following Lipinski's Rule of Five, Esmolol Hydrochloride 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
What is the CAS number of Esmolol Hydrochloride?
The CAS number of Esmolol Hydrochloride is 81161-17-3.
What is the molecular formula of Esmolol Hydrochloride?
The molecular formula of Esmolol Hydrochloride is C16H26ClNO4.
What is the molecular weight of Esmolol Hydrochloride?
The molecular weight of Esmolol Hydrochloride is 331.15503 g/mol.
Where can I buy Esmolol Hydrochloride?
You can request a quote for Esmolol Hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Esmolol Hydrochloride?
Yes, CoreyChem provides custom synthesis services for Esmolol Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.