2H-337S
TL;DR: 2H-337S (CAS 338398-14-4) is a chemical compound with molecular formula C21H23FN6O and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide
Also Known As: 2H-337S, 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide, 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazino)phenyl]-1H-1,2,4-triazole-3-carboxamide, 1-(4-Fluorophenyl)-5-methyl-N-(2-(4-methylpiperazin-1-yl)phenyl)-1H-1,2,4-triazole-3-carboxamide, 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-3-carboxamide
| Molecular Formula | C21H23FN6O |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 2.71892 |
| Topological Polar Surface Area | 66.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.19174 |
| Heavy Atoms | 29 |
| Complexity | 1008.26575 |
Chemical Identifiers
| CAS Number | 338398-14-4 |
|---|---|
| SMILES | CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3N4CCN(CC4)C |
Product Overview
2H-337S (CAS 338398-14-4), with molecular formula C21H23FN6O and molecular weight 394.19 g/mol. IUPAC: 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 2H-337S
Property Insights of 2H-337S
The XLogP value of 2.71892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-337S. The TPSA of 66.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-337S. Following Lipinski's Rule of Five, 2H-337S has 1 hydrogen bond donor(s) and 5 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 2H-337S?
The CAS number of 2H-337S is 338398-14-4.
What is the molecular formula of 2H-337S?
The molecular formula of 2H-337S is C21H23FN6O.
What is the molecular weight of 2H-337S?
The molecular weight of 2H-337S is 394.19 g/mol.
Where can I buy 2H-337S?
You can request a quote for 2H-337S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-337S?
Yes, KEHONG BIO provides custom synthesis services for 2H-337S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.