US9238653, Table 5, Compound 12
TL;DR: US9238653, Table 5, Compound 12 (CAS 890622-16-9) is a chemical compound with molecular formula C14H11ClF3N5 and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Also Known As: US9238653, Table 5, Compound 12, N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
| Molecular Formula | C14H11ClF3N5 |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 4.15694 |
| Topological Polar Surface Area | 55.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.06552 |
| Heavy Atoms | 23 |
| Complexity | 887.9855 |
Chemical Identifiers
| CAS Number | 890622-16-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=CC(=NC3=NC(=NN23)C(F)(F)F)C)Cl |
Product Overview
US9238653, Table 5, Compound 12 (CAS 890622-16-9), with molecular formula C14H11ClF3N5 and molecular weight 341.07 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
Chemical Property Profile of US9238653, Table 5, Compound 12
Property Insights of US9238653, Table 5, Compound 12
The XLogP value of 4.15694 indicates that US9238653, Table 5, Compound 12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.11 Ų, US9238653, Table 5, Compound 12 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, US9238653, Table 5, Compound 12 has 1 hydrogen bond donor(s) and 4 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 US9238653, Table 5, Compound 12?
The CAS number of US9238653, Table 5, Compound 12 is 890622-16-9.
What is the molecular formula of US9238653, Table 5, Compound 12?
The molecular formula of US9238653, Table 5, Compound 12 is C14H11ClF3N5.
What is the molecular weight of US9238653, Table 5, Compound 12?
The molecular weight of US9238653, Table 5, Compound 12 is 341.07 g/mol.
Where can I buy US9238653, Table 5, Compound 12?
You can request a quote for US9238653, Table 5, Compound 12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for US9238653, Table 5, Compound 12?
Yes, KEHONG BIO provides custom synthesis services for US9238653, Table 5, Compound 12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.