![[3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone structure](/static/products/4780/478031-99-1.webp)
[3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
TL;DR: [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone (CAS 478031-99-1) is a chemical compound with molecular formula C13H16N6O3 and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
Also Known As: (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-nitrophenyl)methanone, [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone, 3M-700, N3,N3,N5,N5-tetramethyl-1-(4-nitrobenzoyl)-1H-1,2,4-triazole-3,5-diamine, [3,5-bis(dimethylamino)-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone
| Molecular Formula | C13H16N6O3 |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 1.0068 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.1284 |
| Heavy Atoms | 22 |
| Complexity | 705.06555 |
Chemical Identifiers
| CAS Number | 478031-99-1 |
|---|---|
| SMILES | CN(C)C1=NN(C(=N1)N(C)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
[3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone (CAS 478031-99-1), with molecular formula C13H16N6O3 and molecular weight 304.13 g/mol. IUPAC: [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
Property Insights of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
The XLogP value of 1.0068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 7 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 [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone?
The CAS number of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone is 478031-99-1.
What is the molecular formula of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone?
The molecular formula of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone is C13H16N6O3.
What is the molecular weight of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone?
The molecular weight of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone is 304.13 g/mol.
Where can I buy [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone?
You can request a quote for [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.