6N-042
TL;DR: 6N-042 (CAS 343373-37-5) is a chemical compound with molecular formula C15H7ClF6N4O and molecular weight 408.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
Also Known As: 6N-042, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C15H7ClF6N4O |
|---|---|
| Molecular Weight | 408.02 g/mol |
| LogP | 4.1092 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.02127 |
| Heavy Atoms | 27 |
| Complexity | 1053.4363 |
Chemical Identifiers
| CAS Number | 343373-37-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=NN(C2=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(F)(F)F |
Product Overview
6N-042 (CAS 343373-37-5), with molecular formula C15H7ClF6N4O and molecular weight 408.02 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 6N-042
Property Insights of 6N-042
The XLogP value of 4.1092 indicates that 6N-042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, 6N-042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6N-042 has 0 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 6N-042?
The CAS number of 6N-042 is 343373-37-5.
What is the molecular formula of 6N-042?
The molecular formula of 6N-042 is C15H7ClF6N4O.
What is the molecular weight of 6N-042?
The molecular weight of 6N-042 is 408.02 g/mol.
Where can I buy 6N-042?
You can request a quote for 6N-042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6N-042?
Yes, KEHONG BIO provides custom synthesis services for 6N-042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.