Propranolol n-butylboronate
TL;DR: Propranolol n-butylboronate (CAS 127202-12-4) is a chemical compound with molecular formula C20H28BNO2 and molecular weight 325.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5-(naphthalen-1-yloxymethyl)-3-propan-2-yl-1,3,2-oxazaborolidine
Also Known As: Propranolol n-butylboronate, 2-Butyl-3-isopropyl-5-[(1-naphthyloxy)methyl]-1,3,2-oxazaborolidine #, 2-butyl-5-(naphthalen-1-yloxymethyl)-3-propan-2-yl-1,3,2-oxazaborolidine, 1,3,2-Oxazaborolidine, 2-butyl-3-(1-methylethyl)-5-[(1-naphthalenyloxy)methyl]-, 2-Butyl-3-(1-methylethyl)-5-[(1-naphthalenyloxy)methyl]-1,3,2-oxazaborolidine
| Molecular Formula | C20H28BNO2 |
|---|---|
| Molecular Weight | 325.22 g/mol |
| LogP | 4.6161 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.2213 |
| Heavy Atoms | 24 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 127202-12-4 |
|---|---|
| SMILES | B1(N(CC(O1)COC2=CC=CC3=CC=CC=C32)C(C)C)CCCC |
| InChIKey | QUPLXAYLHQDNCE-UHFFFAOYSA-N |
Product Overview
Propranolol n-butylboronate (CAS 127202-12-4), with molecular formula C20H28BNO2 and molecular weight 325.22 g/mol. IUPAC: 2-butyl-5-(naphthalen-1-yloxymethyl)-3-propan-2-yl-1,3,2-oxazaborolidine.
Chemical Property Profile of Propranolol n-butylboronate
Property Insights of Propranolol n-butylboronate
The XLogP value of 4.6161 indicates that Propranolol n-butylboronate 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 n-butylboronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propranolol n-butylboronate 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 n-butylboronate?
The CAS number of Propranolol n-butylboronate is 127202-12-4.
What is the molecular formula of Propranolol n-butylboronate?
The molecular formula of Propranolol n-butylboronate is C20H28BNO2.
What is the molecular weight of Propranolol n-butylboronate?
The molecular weight of Propranolol n-butylboronate is 325.22 g/mol.
Where can I buy Propranolol n-butylboronate?
You can request a quote for Propranolol n-butylboronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propranolol n-butylboronate?
Yes, KEHONG BIO provides custom synthesis services for Propranolol n-butylboronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.