Timoptic
TL;DR: Timoptic (CAS 26921-17-5) is a chemical compound with molecular formula C17H28N4O7S and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Also Known As: Timoptic, Timolol maleate, (S)-3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole monomaleate, but-2-enedioic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, C17H28N4O7S
| Molecular Formula | C17H28N4O7S |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 0.21 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.16788 |
| Heavy Atoms | 29 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 26921-17-5 |
|---|---|
| SMILES | CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C(=CC(=O)O)C(=O)O |
| InChIKey | WLRMANUAADYWEA-PPHPATTJSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Timoptic (CAS 26921-17-5), with molecular formula C17H28N4O7S and molecular weight 432.17 g/mol. IUPAC: but-2-enedioic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.
Chemical Property Profile of Timoptic
Property Insights of Timoptic
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Timoptic. The TPSA of 183.0 Ų indicates high polarity, suggesting Timoptic may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Timoptic has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Timoptic?
The CAS number of Timoptic is 26921-17-5.
What is the molecular formula of Timoptic?
The molecular formula of Timoptic is C17H28N4O7S.
What is the molecular weight of Timoptic?
The molecular weight of Timoptic is 432.17 g/mol.
Where can I buy Timoptic?
You can request a quote for Timoptic directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Timoptic?
Yes, KEHONG BIO provides custom synthesis services for Timoptic and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.