![2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate structure](/static/products/3554/355413-49-9.webp)
2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate
TL;DR: 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate (CAS 355413-49-9) is a chemical compound with molecular formula C15H11N5O5S and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate
Also Known As: BIM-0047522.P001, 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate, [2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate, 2-[(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate, (E)-2-(((4H-1,2,4-triazol-4-yl)imino)methyl)phenyl 2-nitrobenzenesulfonate
| Molecular Formula | C15H11N5O5S |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | 1.8362 |
| Topological Polar Surface Area | 129.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.0481 |
| Heavy Atoms | 26 |
| Complexity | 1063.5459 |
Chemical Identifiers
| CAS Number | 355413-49-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/N2C=NN=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate (CAS 355413-49-9), with molecular formula C15H11N5O5S and molecular weight 373.05 g/mol. IUPAC: [2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate.
Chemical Property Profile of 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate
Property Insights of 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate
The XLogP value of 1.8362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate. The TPSA of 129.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate has 0 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 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate?
The CAS number of 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate is 355413-49-9.
What is the molecular formula of 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate?
The molecular formula of 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate is C15H11N5O5S.
What is the molecular weight of 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate?
The molecular weight of 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate is 373.05 g/mol.
Where can I buy 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate?
You can request a quote for 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 2-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.