tert-Butylbetaxolol
TL;DR: tert-Butylbetaxolol (CAS 13224-40-3) is a chemical compound with molecular formula C19H31NO3 and molecular weight 321.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(tert-butylamino)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]propan-2-ol
Also Known As: tert-Butylbetaxolol, (2S)-1-(tert-butylamino)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]propan-2-ol, 2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1,1-dimethylethyl)amino)-, (S)-, 2-propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1,1-dimethylethyl)amino)-,(s)-, 1-(tert-Butylamino)-3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}propan-2-ol
| Molecular Formula | C19H31NO3 |
|---|---|
| Molecular Weight | 321.23 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 321.2304 |
| Heavy Atoms | 23 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 13224-40-3 |
|---|---|
| SMILES | CC(C)(C)NC[C@@H](COC1=CC=C(C=C1)CCOCC2CC2)O |
| InChIKey | ILWIKOAOZUSHMV-KRWDZBQOSA-N |
Product Overview
tert-Butylbetaxolol (CAS 13224-40-3), with molecular formula C19H31NO3 and molecular weight 321.23 g/mol. IUPAC: (2S)-1-(tert-butylamino)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]propan-2-ol.
Chemical Property Profile of tert-Butylbetaxolol
Property Insights of tert-Butylbetaxolol
The XLogP value of 3.0 indicates that tert-Butylbetaxolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, tert-Butylbetaxolol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butylbetaxolol has 2 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 tert-Butylbetaxolol?
The CAS number of tert-Butylbetaxolol is 13224-40-3.
What is the molecular formula of tert-Butylbetaxolol?
The molecular formula of tert-Butylbetaxolol is C19H31NO3.
What is the molecular weight of tert-Butylbetaxolol?
The molecular weight of tert-Butylbetaxolol is 321.23 g/mol.
Where can I buy tert-Butylbetaxolol?
You can request a quote for tert-Butylbetaxolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butylbetaxolol?
Yes, KEHONG BIO provides custom synthesis services for tert-Butylbetaxolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.