Atenolol n-butylboronate
TL;DR: Atenolol n-butylboronate (CAS 127202-14-6) is a chemical compound with molecular formula C18H29BN2O3 and molecular weight 332.2271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2-butyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]acetamide
Also Known As: Atenolol n-butylboronate, 2-(4-[(2-Butyl-3-isopropyl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl)acetamide #, 2-(4-{[2-Butyl-3-(propan-2-yl)-1,3,2-oxazaborolidin-5-yl]methoxy}phenyl)acetamide, 2-[4-[(2-butyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]acetamide, Benzeneacetamide, 4-[[2-butyl-3-(1-methylethyl)-1,3,2-oxazaborolidin-5-yl]methoxy]-
Technical Specifications
| Molecular Formula | C18H29BN2O3 |
| Molecular Weight | 332.2271 g/mol |
| XLogP | 2.4907 |
| Topological Polar Surface Area (TPSA) | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 332.2271 Da |
| Heavy Atoms | 24 |
| Complexity | 386.0 |
| SMILES | B1(N(CC(O1)COC2=CC=C(C=C2)CC(=O)N)C(C)C)CCCC |
| InChIKey | DCAZCPGJKMQVIK-UHFFFAOYSA-N |
Chemical Property Profile of Atenolol n-butylboronate
Property Insights of Atenolol n-butylboronate
The XLogP value of 2.4907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atenolol n-butylboronate. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Atenolol n-butylboronate. Following Lipinski's Rule of Five, Atenolol n-butylboronate has 1 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 Atenolol n-butylboronate?
The CAS number of Atenolol n-butylboronate is 127202-14-6.
What is the molecular formula of Atenolol n-butylboronate?
The molecular formula of Atenolol n-butylboronate is C18H29BN2O3.
What is the molecular weight of Atenolol n-butylboronate?
The molecular weight of Atenolol n-butylboronate is 332.2271 g/mol.
Where can I buy Atenolol n-butylboronate?
You can request a quote for Atenolol n-butylboronate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Atenolol n-butylboronate?
Yes, CoreyChem provides custom synthesis services for Atenolol n-butylboronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.