![N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide structure](/static/products/714/714923-39-4.png)
N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide
TL;DR: N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide (CAS 714923-39-4) is a chemical compound with molecular formula C18H13ClN6O4 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
Also Known As: N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide, N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide, N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
| Molecular Formula | C18H13ClN6O4 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 3.0236 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0687 |
| Heavy Atoms | 29 |
| Complexity | 1110.3849 |
Chemical Identifiers
| CAS Number | 714923-39-4 |
|---|---|
| SMILES | C1C(N2C(=NC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC1=O)C4=CC=C(C=C4)Cl |
Product Overview
N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide (CAS 714923-39-4), with molecular formula C18H13ClN6O4 and molecular weight 412.07 g/mol. IUPAC: N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide.
Chemical Property Profile of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide
Property Insights of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide
The XLogP value of 3.0236 indicates that N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide has 2 hydrogen bond donor(s) and 6 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 N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide?
The CAS number of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide is 714923-39-4.
What is the molecular formula of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide?
The molecular formula of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide is C18H13ClN6O4.
What is the molecular weight of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide?
The molecular weight of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide is 412.07 g/mol.
Where can I buy N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide?
You can request a quote for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.