Esmolol acid
TL;DR: Esmolol acid (CAS 85604-71-3) is a chemical compound with molecular formula C15H23NO4 and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
Also Known As: Esmolol Acid, (R)-Esmolol Acid, Esmolol Impurity 4, Als 8123, Esmolol Acid (hydrochloride)
| Molecular Formula | C15H23NO4 |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 281.16272 |
| Heavy Atoms | 20 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 85604-71-3 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)O)O |
| InChIKey | ILSCWPMGTDPATI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esmolol acid (CAS 85604-71-3), with molecular formula C15H23NO4 and molecular weight 281.16 g/mol. IUPAC: 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid.
Chemical Property Profile of Esmolol acid
Property Insights of Esmolol acid
The XLogP value of -0.8 indicates that Esmolol acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Esmolol acid. Following Lipinski's Rule of Five, Esmolol acid 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 Esmolol acid?
The CAS number of Esmolol acid is 85604-71-3.
What is the molecular formula of Esmolol acid?
The molecular formula of Esmolol acid is C15H23NO4.
What is the molecular weight of Esmolol acid?
The molecular weight of Esmolol acid is 281.16 g/mol.
Where can I buy Esmolol acid?
You can request a quote for Esmolol acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esmolol acid?
Yes, KEHONG BIO provides custom synthesis services for Esmolol acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.