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Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-
TL;DR: Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]- (CAS 62546-65-0) is a chemical compound with molecular formula C14H11N5O2 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-nitrophenyl)triazol-4-yl]aniline
Also Known As: 4-[3-(4-nitrophenyl)triazol-4-yl]aniline, AE-848/11905211, Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-, 4-(1-(4-Nitrophenyl)-1H-1,2,3-triazol-5-yl)aniline, 4-[1-(4-Nitrophenyl)-1H-1,2,3-triazol-5-yl]aniline
| Molecular Formula | C14H11N5O2 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 2.4247 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.09128 |
| Heavy Atoms | 21 |
| Complexity | 777.88385 |
Chemical Identifiers
| CAS Number | 62546-65-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CN=NN2C3=CC=C(C=C3)[N+](=O)[O-])N |
Product Overview
Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]- (CAS 62546-65-0), with molecular formula C14H11N5O2 and molecular weight 281.09 g/mol. IUPAC: 4-[3-(4-nitrophenyl)triazol-4-yl]aniline.
Chemical Property Profile of Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-
Property Insights of Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-
The XLogP value of 2.4247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-. Following Lipinski's Rule of Five, Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]- has 1 hydrogen bond donor(s) and 5 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 Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-?
The CAS number of Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]- is 62546-65-0.
What is the molecular formula of Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-?
The molecular formula of Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]- is C14H11N5O2.
What is the molecular weight of Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-?
The molecular weight of Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]- is 281.09 g/mol.
Where can I buy Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-?
You can request a quote for Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-[1-(4-nitrophenyl)-1H-1,2,3-triazol-5-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.