Propranolol methylboronate
TL;DR: Propranolol methylboronate (CAS 127202-03-3) is a chemical compound with molecular formula C17H22BNO2 and molecular weight 283.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(naphthalen-1-yloxymethyl)-3-propan-2-yl-1,3,2-oxazaborolidine
Also Known As: Propranolol methylboronate, Propranolol methaneboronate, 2-methyl-5-(naphthalen-1-yloxymethyl)-3-propan-2-yl-1,3,2-oxazaborolidine, 3-Isopropyl-2-methyl-5-[(1-naphthyloxy)methyl]-1,3,2-oxazaborolidine #, 2-Methyl-3-(1-methylethyl)-5-[(1-naphthalenyloxy)methyl]-1,3,2-oxazaborolidine
| Molecular Formula | C17H22BNO2 |
|---|---|
| Molecular Weight | 283.17 g/mol |
| LogP | 3.4458 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.17435 |
| Heavy Atoms | 21 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 127202-03-3 |
|---|---|
| SMILES | B1(N(CC(O1)COC2=CC=CC3=CC=CC=C32)C(C)C)C |
| InChIKey | ISLKLWGKTKYQST-UHFFFAOYSA-N |
Product Overview
Propranolol methylboronate (CAS 127202-03-3), with molecular formula C17H22BNO2 and molecular weight 283.17 g/mol. IUPAC: 2-methyl-5-(naphthalen-1-yloxymethyl)-3-propan-2-yl-1,3,2-oxazaborolidine.
Chemical Property Profile of Propranolol methylboronate
Property Insights of Propranolol methylboronate
The XLogP value of 3.4458 indicates that Propranolol methylboronate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, Propranolol methylboronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propranolol methylboronate has 0 hydrogen bond donor(s) and 3 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 Propranolol methylboronate?
The CAS number of Propranolol methylboronate is 127202-03-3.
What is the molecular formula of Propranolol methylboronate?
The molecular formula of Propranolol methylboronate is C17H22BNO2.
What is the molecular weight of Propranolol methylboronate?
The molecular weight of Propranolol methylboronate is 283.17 g/mol.
Where can I buy Propranolol methylboronate?
You can request a quote for Propranolol methylboronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propranolol methylboronate?
Yes, KEHONG BIO provides custom synthesis services for Propranolol methylboronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.