5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide
TL;DR: 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide (CAS 85833-48-3) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-formyl-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate
Also Known As: 5-formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide, 5-formyl-2-oxo-4-[4-(propan-2-yl)pyridinium-1-yl]-1,3-thiazol-3-ide, (E)-[2-oxo-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-5-ylidene]methanolate, [2-oxo-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-5-ylidene]methanolate
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.4293 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 531.9387 |
Chemical Identifiers
| CAS Number | 85833-48-3 |
|---|---|
| SMILES | CC(C)C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=O |
Product Overview
5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide (CAS 85833-48-3), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 5-formyl-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate.
Chemical Property Profile of 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide
Property Insights of 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide
The XLogP value of 1.4293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide. With a topological polar surface area (TPSA) of 56.9 Ų, 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide 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-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide?
The CAS number of 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide is 85833-48-3.
What is the molecular formula of 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide?
The molecular formula of 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide is C12H12N2O2S.
What is the molecular weight of 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide?
The molecular weight of 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide is 248.06 g/mol.
Where can I buy 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide?
You can request a quote for 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide 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-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide?
Yes, KEHONG BIO provides custom synthesis services for 5-Formyl-4-(4-isopropylpyridin-1-ium-1-yl)-2-oxothiazol-3-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.