1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide
TL;DR: 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide (CAS 330468-32-1) is a chemical compound with molecular formula C12H10N8O2 and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide
Also Known As: BAS 00627266, 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide, N~1~,N~3~-di(4H-1,2,4-triazol-4-yl)isophthalamide, N,N'-Bis-[1,2,4]triazol-4-yl-isophthalamide, N1,N3-di(4H-1,2,4-triazol-4-yl)isophthalamide
| Molecular Formula | C12H10N8O2 |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09268 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 330468-32-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)NN2C=NN=C2)C(=O)NN3C=NN=C3 |
| InChIKey | OASXKIPEGORXMR-UHFFFAOYSA-N |
Product Overview
1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide (CAS 330468-32-1), with molecular formula C12H10N8O2 and molecular weight 298.09 g/mol. IUPAC: 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide.
Chemical Property Profile of 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide
Property Insights of 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide
The XLogP value of -0.5 indicates that 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide. Following Lipinski's Rule of Five, 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide 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 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide?
The CAS number of 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide is 330468-32-1.
What is the molecular formula of 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide?
The molecular formula of 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide is C12H10N8O2.
What is the molecular weight of 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide?
The molecular weight of 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide is 298.09 g/mol.
Where can I buy 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide?
You can request a quote for 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.