1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide
TL;DR: 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338397-99-2) is a chemical compound with molecular formula C13H14F2N4O and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-difluorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
Also Known As: 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide, 2H-304S, 1-(2,4-difluorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide, 1-(2,4-difluorophenyl)-5-methyl-N-(propan-2-yl)-1H-1,2,4-triazole-3-carboxamide, 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1,2,4-triazole-3-carboxamide
| Molecular Formula | C13H14F2N4O |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.99212 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.11356 |
| Heavy Atoms | 20 |
| Complexity | 651.81586 |
Chemical Identifiers
| CAS Number | 338397-99-2 |
|---|---|
| SMILES | CC1=NC(=NN1C2=C(C=C(C=C2)F)F)C(=O)NC(C)C |
Product Overview
1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338397-99-2), with molecular formula C13H14F2N4O and molecular weight 280.11 g/mol. IUPAC: 1-(2,4-difluorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide
Property Insights of 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 1.99212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide. With a topological polar surface area (TPSA) of 59.81 Ų, 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide has 1 hydrogen bond donor(s) and 3 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-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The CAS number of 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide is 338397-99-2.
What is the molecular formula of 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide is C13H14F2N4O.
What is the molecular weight of 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide is 280.11 g/mol.
Where can I buy 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-difluorophenyl)-N-isopropyl-5-methyl-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.