Timolol Hemihydrate
TL;DR: Timolol Hemihydrate (CAS 91524-16-2) is a chemical compound with molecular formula C26H50N8O7S2 and molecular weight 650.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol);hydrate
Also Known As: Timolol hemihydrate, timolol, Betimol, (S)-timolol hemihydrate, Betimol (TN)
| Molecular Formula | C26H50N8O7S2 |
|---|---|
| Molecular Weight | 650.32 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 650.3244 |
| Heavy Atoms | 43 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 91524-16-2 |
|---|---|
| SMILES | CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.O |
| InChIKey | TWBNMYSKRDRHAT-RCWTXCDDSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Timolol Hemihydrate (CAS 91524-16-2), with molecular formula C26H50N8O7S2 and molecular weight 650.32 g/mol. IUPAC: bis((2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol);hydrate.
Chemical Property Profile of Timolol Hemihydrate
Property Insights of Timolol Hemihydrate
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Timolol Hemihydrate. The TPSA of 217.0 Ų indicates high polarity, suggesting Timolol Hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Timolol Hemihydrate has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Timolol Hemihydrate?
The CAS number of Timolol Hemihydrate is 91524-16-2.
What is the molecular formula of Timolol Hemihydrate?
The molecular formula of Timolol Hemihydrate is C26H50N8O7S2.
What is the molecular weight of Timolol Hemihydrate?
The molecular weight of Timolol Hemihydrate is 650.32 g/mol.
Where can I buy Timolol Hemihydrate?
You can request a quote for Timolol Hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Timolol Hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Timolol Hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.