Timolol HCl
TL;DR: Timolol HCl (CAS 69267-58-9) is a chemical compound with molecular formula C13H25ClN4O3S and molecular weight 352.13 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-ol;hydrochloride
Also Known As: Timolol HCl, Timolol hydrochloride, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, hydrochloride, (S)-, (2S)-1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-3-(tert-butylamino)propan-2-ol hydrochloride, 1-Azabicyclo(2.2.2)octane-3-carboxamide, N-(2,6-dimethylphenyl)-
| Molecular Formula | C13H25ClN4O3S |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 0.9243 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.13358 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 69267-58-9 |
|---|---|
| SMILES | CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.Cl |
| InChIKey | APEJDIWDAXIRHL-PPHPATTJSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Timolol HCl (CAS 69267-58-9), with molecular formula C13H25ClN4O3S and molecular weight 352.13 g/mol. IUPAC: (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;hydrochloride.
Chemical Property Profile of Timolol HCl
Property Insights of Timolol HCl
The XLogP value of 0.9243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Timolol HCl. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Timolol HCl. Following Lipinski's Rule of Five, Timolol HCl has 3 hydrogen bond donor(s) and 8 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 Timolol HCl?
The CAS number of Timolol HCl is 69267-58-9.
What is the molecular formula of Timolol HCl?
The molecular formula of Timolol HCl is C13H25ClN4O3S.
What is the molecular weight of Timolol HCl?
The molecular weight of Timolol HCl is 352.13 g/mol.
Where can I buy Timolol HCl?
You can request a quote for Timolol HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Timolol HCl?
Yes, KEHONG BIO provides custom synthesis services for Timolol HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.