N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide
TL;DR: N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide (CAS 385397-52-4) is a chemical compound with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)acetamide
Also Known As: ChemDiv3_002817, BAS 04238287, 3,5-diacetylamino-1-phenyl-1,2,4-triazole, N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide, N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)acetamide
| Molecular Formula | C12H13N5O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.10693 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 385397-52-4 |
|---|---|
| SMILES | CC(=O)NC1=NN(C(=N1)NC(=O)C)C2=CC=CC=C2 |
| InChIKey | DCQVULXMOINQPO-UHFFFAOYSA-N |
Product Overview
N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide (CAS 385397-52-4), with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol. IUPAC: N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)acetamide.
Chemical Property Profile of N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide
Property Insights of N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide. Following Lipinski's Rule of Five, N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide has 2 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 N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide?
The CAS number of N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide is 385397-52-4.
What is the molecular formula of N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide?
The molecular formula of N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide is C12H13N5O2.
What is the molecular weight of N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide?
The molecular weight of N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide is 259.11 g/mol.
Where can I buy N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide?
You can request a quote for N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide?
Yes, KEHONG BIO provides custom synthesis services for N,N'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.