噻吗洛尔
TL;DR: 噻吗洛尔 (CAS 26839-75-8) is a chemical compound with molecular formula C13H24N4O3S and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噻吗洛尔
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Also Known As: timolol, (S)-timolol, Betimol, Istalol, Timopic
| Molecular Formula | C13H24N4O3S |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.15692 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
| Melting Point | 202-203 |
| Boiling Point | >100 |
| Solubility | soluble in water |
Chemical Identifiers
| CAS Number | 26839-75-8 |
|---|---|
| SMILES | CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O |
| InChIKey | BLJRIMJGRPQVNF-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
噻吗洛尔 (CAS 26839-75-8), with molecular formula C13H24N4O3S and molecular weight 316.16 g/mol. IUPAC: (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.
Chemical Property Profile of 噻吗洛尔
Property Insights of 噻吗洛尔
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 噻吗洛尔. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 噻吗洛尔. Following Lipinski's Rule of Five, 噻吗洛尔 has 2 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 噻吗洛尔?
The CAS number of 噻吗洛尔 is 26839-75-8.
What is the molecular formula of 噻吗洛尔?
The molecular formula of 噻吗洛尔 is C13H24N4O3S.
What is the molecular weight of 噻吗洛尔?
The molecular weight of 噻吗洛尔 is 316.16 g/mol.
Where can I buy 噻吗洛尔?
You can request a quote for 噻吗洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噻吗洛尔?
Yes, KEHONG BIO provides custom synthesis services for 噻吗洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.