Atenolol methylboronate
TL;DR: Atenolol methylboronate (CAS 127201-99-4) is a chemical compound with molecular formula C15H23BN2O3 and molecular weight 290.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]acetamide
Also Known As: Atenolol methylboronate, Atenolol methaneboronate, 2-(4-[(3-Isopropyl-2-methyl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl)acetamide #, 2-(4-{[2-Methyl-3-(propan-2-yl)-1,3,2-oxazaborolidin-5-yl]methoxy}phenyl)acetamide, 2-[4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]acetamide
| Molecular Formula | C15H23BN2O3 |
|---|---|
| Molecular Weight | 290.18 g/mol |
| LogP | 1.3204 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.18018 |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 127201-99-4 |
|---|---|
| SMILES | B1(N(CC(O1)COC2=CC=C(C=C2)CC(=O)N)C(C)C)C |
| InChIKey | RTMDQVZAMODPRU-UHFFFAOYSA-N |
Product Overview
Atenolol methylboronate (CAS 127201-99-4), with molecular formula C15H23BN2O3 and molecular weight 290.18 g/mol. IUPAC: 2-[4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]acetamide.
Chemical Property Profile of Atenolol methylboronate
Property Insights of Atenolol methylboronate
The XLogP value of 1.3204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atenolol methylboronate. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Atenolol methylboronate. Following Lipinski's Rule of Five, Atenolol methylboronate 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
Frequently Asked Questions
What is the CAS number of Atenolol methylboronate?
The CAS number of Atenolol methylboronate is 127201-99-4.
What is the molecular formula of Atenolol methylboronate?
The molecular formula of Atenolol methylboronate is C15H23BN2O3.
What is the molecular weight of Atenolol methylboronate?
The molecular weight of Atenolol methylboronate is 290.18 g/mol.
Where can I buy Atenolol methylboronate?
You can request a quote for Atenolol methylboronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atenolol methylboronate?
Yes, KEHONG BIO provides custom synthesis services for Atenolol methylboronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.