4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide
TL;DR: 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide (CAS 127868-41-1) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-benzylpyridin-1-ium-1-yl)-5-formyl-1,3-thiazol-2-olate
Also Known As: 4-(3-benzylpyridin-1-ium-1-yl)-5-formyl-2-oxothiazol-3-ide, 4-(3-benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide, [4-(3-benzylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 1.8967 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 768.95795 |
Chemical Identifiers
| CAS Number | 127868-41-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=C(SC(=N3)[O-])C=O |
Product Overview
4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide (CAS 127868-41-1), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 4-(3-benzylpyridin-1-ium-1-yl)-5-formyl-1,3-thiazol-2-olate.
Chemical Property Profile of 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide
Property Insights of 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide
The XLogP value of 1.8967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide. With a topological polar surface area (TPSA) of 56.9 Ų, 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-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 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
The CAS number of 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide is 127868-41-1.
What is the molecular formula of 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
The molecular formula of 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide is C16H12N2O2S.
What is the molecular weight of 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
The molecular weight of 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide is 296.06 g/mol.
Where can I buy 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
You can request a quote for 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Benzylpyridinium-1-yl)-5-formyl-2-oxo-1,3-thiazol-3-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.