3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate
TL;DR: 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate (CAS 7241-39-6) is a chemical compound with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate
Also Known As: 3-benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate, 3-benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-4-olate
| Molecular Formula | C22H16N2O3S |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 4.3997 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.08817 |
| Heavy Atoms | 28 |
| Complexity | 1107.9993 |
Chemical Identifiers
| CAS Number | 7241-39-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=C(SC(=C2[O-])C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate (CAS 7241-39-6), with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol. IUPAC: 3-benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate.
Chemical Property Profile of 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate
Property Insights of 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate
The XLogP value of 4.3997 indicates that 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate. Following Lipinski's Rule of Five, 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-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 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate?
The CAS number of 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate is 7241-39-6.
What is the molecular formula of 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate?
The molecular formula of 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate is C22H16N2O3S.
What is the molecular weight of 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate?
The molecular weight of 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate is 388.09 g/mol.
Where can I buy 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate?
You can request a quote for 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-(4-nitrophenyl)-2-phenyl-1,3-thiazol-3-ium-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.