Esmolol Impurity 39
TL;DR: Esmolol Impurity 39 (CAS 81147-95-7) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
Also Known As: Esmolol Impurity 39, ethyl3-[4-[2-hydroxy-3- propoxy]phenyl]propanoate, Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-,ethyl ester, Benzenepropanoic acid,4-[2-hydroxy-3-[(1- methylethyl)amino]propoxy]-,ethyl ester, ethyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
| Molecular Formula | C17H27NO4 |
|---|---|
| Molecular Weight | 309.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 309.194 |
| Heavy Atoms | 22 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 81147-95-7 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC=C(C=C1)OCC(CNC(C)C)O |
| InChIKey | BQELVJOBZCACSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esmolol Impurity 39 (CAS 81147-95-7), with molecular formula C17H27NO4 and molecular weight 309.19 g/mol. IUPAC: ethyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate.
Chemical Property Profile of Esmolol Impurity 39
Property Insights of Esmolol Impurity 39
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esmolol Impurity 39. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Esmolol Impurity 39. Following Lipinski's Rule of Five, Esmolol Impurity 39 has 2 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 Impurity 39?
The CAS number of Esmolol Impurity 39 is 81147-95-7.
What is the molecular formula of Esmolol Impurity 39?
The molecular formula of Esmolol Impurity 39 is C17H27NO4.
What is the molecular weight of Esmolol Impurity 39?
The molecular weight of Esmolol Impurity 39 is 309.19 g/mol.
Where can I buy Esmolol Impurity 39?
You can request a quote for Esmolol Impurity 39 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esmolol Impurity 39?
Yes, KEHONG BIO provides custom synthesis services for Esmolol Impurity 39 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.