Atenolol acetate
TL;DR: Atenolol acetate (CAS 250579-95-4) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[4-(2-amino-2-oxoethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] acetate
Also Known As: Atenolol acetate, 4-[2-(Acetyloxy)-3-[(1-methylethyl)amino]propoxy]benzeneacetamide, [1-[4-(2-amino-2-oxoethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] acetate, 1-[4-(2-amino-2-oxoethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl acetate, 1-[4-(2-Amino-2-oxoethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-yl acetate
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 250579-95-4 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)OC(=O)C |
| InChIKey | SPOYZOICELSCIV-UHFFFAOYSA-N |
Product Overview
Atenolol acetate (CAS 250579-95-4), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: [1-[4-(2-amino-2-oxoethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] acetate.
Chemical Property Profile of Atenolol acetate
Property Insights of Atenolol acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atenolol acetate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Atenolol acetate. Following Lipinski's Rule of Five, Atenolol acetate 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 Atenolol acetate?
The CAS number of Atenolol acetate is 250579-95-4.
What is the molecular formula of Atenolol acetate?
The molecular formula of Atenolol acetate is C16H24N2O4.
What is the molecular weight of Atenolol acetate?
The molecular weight of Atenolol acetate is 308.17 g/mol.
Where can I buy Atenolol acetate?
You can request a quote for Atenolol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atenolol acetate?
Yes, KEHONG BIO provides custom synthesis services for Atenolol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.