5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate
TL;DR: 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate (CAS 85833-52-9) is a chemical compound with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-formyl-4-isoquinolin-2-ium-2-yl-1,3-thiazol-2-olate
Also Known As: 5-formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate, 5-formyl-4-(2-isoquinoliniumyl)-1,3-thiazol-2-olate, 5-formyl-4-(isoquinolin-2-ium-2-yl)thiazol-2-olate, 5-formyl-4-isoquinolin-2-ium-2-yl-1,3-thiazol-2-olate, 5-Formyl-4-(isoquinolin-2-ium-2-yl)-1,3-thiazol-2-olate
| Molecular Formula | C13H8N2O2S |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.03064 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 85833-52-9 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)C3=C(SC(=N3)[O-])C=O |
| InChIKey | PUZRGTDJHDZUID-UHFFFAOYSA-N |
Product Overview
5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate (CAS 85833-52-9), with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol. IUPAC: 5-formyl-4-isoquinolin-2-ium-2-yl-1,3-thiazol-2-olate.
Chemical Property Profile of 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate
Property Insights of 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate
The XLogP value of 3.7 indicates that 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate. Following Lipinski's Rule of Five, 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate has 0 hydrogen bond donor(s) and 4 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 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate?
The CAS number of 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate is 85833-52-9.
What is the molecular formula of 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate?
The molecular formula of 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate is C13H8N2O2S.
What is the molecular weight of 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate?
The molecular weight of 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate is 256.03 g/mol.
Where can I buy 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate?
You can request a quote for 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.