2H-489S
TL;DR: 2H-489S (CAS 338399-11-4) is a chemical compound with molecular formula C17H11Cl2F3N4O and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dichlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
Also Known As: 2H-489S, 1-(2,5-dichlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxamide, 1-(2,5-dichlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
| Molecular Formula | C17H11Cl2F3N4O |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 5.15362 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0262 |
| Heavy Atoms | 27 |
| Complexity | 1017.6534 |
Chemical Identifiers
| CAS Number | 338399-11-4 |
|---|---|
| SMILES | CC1=NC(=NN1C2=C(C=CC(=C2)Cl)Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
2H-489S (CAS 338399-11-4), with molecular formula C17H11Cl2F3N4O and molecular weight 414.03 g/mol. IUPAC: 1-(2,5-dichlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 2H-489S
Property Insights of 2H-489S
The XLogP value of 5.15362 indicates that 2H-489S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2H-489S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-489S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-489S?
The CAS number of 2H-489S is 338399-11-4.
What is the molecular formula of 2H-489S?
The molecular formula of 2H-489S is C17H11Cl2F3N4O.
What is the molecular weight of 2H-489S?
The molecular weight of 2H-489S is 414.03 g/mol.
Where can I buy 2H-489S?
You can request a quote for 2H-489S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-489S?
Yes, KEHONG BIO provides custom synthesis services for 2H-489S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.