bufetolol hydrochloride
TL;DR: bufetolol hydrochloride (CAS 39795-73-8) is a chemical compound with molecular formula C18H30ClNO4 and molecular weight 359.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butylamino)-3-[2-(oxolan-2-ylmethoxy)phenoxy]propan-2-ol;hydrochloride
Also Known As: bufetolol hydrochloride, Adobiol, Bufetolol HCl, Adobiol (TN), Bufetolol hydrochloride [JAN]
| Molecular Formula | C18H30ClNO4 |
|---|---|
| Molecular Weight | 359.19 g/mol |
| LogP | 2.794 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 359.18634 |
| Heavy Atoms | 24 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 39795-73-8 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1OCC2CCCO2)O.Cl |
| InChIKey | DTAWWMIEZBHDDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
bufetolol hydrochloride (CAS 39795-73-8), with molecular formula C18H30ClNO4 and molecular weight 359.19 g/mol. IUPAC: 1-(tert-butylamino)-3-[2-(oxolan-2-ylmethoxy)phenoxy]propan-2-ol;hydrochloride.
Chemical Property Profile of bufetolol hydrochloride
Property Insights of bufetolol hydrochloride
The XLogP value of 2.794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bufetolol hydrochloride. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for bufetolol hydrochloride. Following Lipinski's Rule of Five, bufetolol hydrochloride has 3 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 bufetolol hydrochloride?
The CAS number of bufetolol hydrochloride is 39795-73-8.
What is the molecular formula of bufetolol hydrochloride?
The molecular formula of bufetolol hydrochloride is C18H30ClNO4.
What is the molecular weight of bufetolol hydrochloride?
The molecular weight of bufetolol hydrochloride is 359.19 g/mol.
Where can I buy bufetolol hydrochloride?
You can request a quote for bufetolol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bufetolol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for bufetolol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.