Butyryl timolol
TL;DR: Butyryl timolol (CAS 106351-79-5) is a chemical compound with molecular formula C17H30N4O4S and molecular weight 386.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] butanoate
Also Known As: Butyryl timolol, Butyryltimolol, O-Butyryltimolol, O-Butyryl timolol, Timolol butyryl ester
| Molecular Formula | C17H30N4O4S |
|---|---|
| Molecular Weight | 386.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 386.1988 |
| Heavy Atoms | 26 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 106351-79-5 |
|---|---|
| SMILES | CCCC(=O)O[C@@H](CNC(C)(C)C)COC1=NSN=C1N2CCOCC2 |
| InChIKey | IGJCFKQCZRWRRM-ZDUSSCGKSA-N |
Product Overview
Butyryl timolol (CAS 106351-79-5), with molecular formula C17H30N4O4S and molecular weight 386.20 g/mol. IUPAC: [(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] butanoate.
Chemical Property Profile of Butyryl timolol
Property Insights of Butyryl timolol
The XLogP value of 3.2 indicates that Butyryl timolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyryl timolol. Following Lipinski's Rule of Five, Butyryl timolol has 1 hydrogen bond donor(s) and 9 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 Butyryl timolol?
The CAS number of Butyryl timolol is 106351-79-5.
What is the molecular formula of Butyryl timolol?
The molecular formula of Butyryl timolol is C17H30N4O4S.
What is the molecular weight of Butyryl timolol?
The molecular weight of Butyryl timolol is 386.20 g/mol.
Where can I buy Butyryl timolol?
You can request a quote for Butyryl timolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyryl timolol?
Yes, KEHONG BIO provides custom synthesis services for Butyryl timolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.