![1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone structure](/static/products/3039/303994-49-2.webp)
1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone
TL;DR: 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone (CAS 303994-49-2) is a chemical compound with molecular formula C14H13N5O3 and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone, 1-[5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, 11N-811, F0497-0063, 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
| Molecular Formula | C14H13N5O3 |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 2.0642 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.10184 |
| Heavy Atoms | 22 |
| Complexity | 791.0646 |
Chemical Identifiers
| CAS Number | 303994-49-2 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C |
Product Overview
1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone (CAS 303994-49-2), with molecular formula C14H13N5O3 and molecular weight 299.10 g/mol. IUPAC: 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
Chemical Property Profile of 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone
Property Insights of 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone
The XLogP value of 2.0642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone. Following Lipinski's Rule of Five, 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone has 1 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-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone?
The CAS number of 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone is 303994-49-2.
What is the molecular formula of 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone?
The molecular formula of 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone is C14H13N5O3.
What is the molecular weight of 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone?
The molecular weight of 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone is 299.10 g/mol.
Where can I buy 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone?
You can request a quote for 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.