ChemDiv3_000890
TL;DR: ChemDiv3_000890 (CAS 313987-18-7) is a chemical compound with molecular formula C20H13ClF3N5O2 and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv3_000890, IDI1_019856, BAS 00414903, BRD-K53538256-001-01-9, N-(5-chloro-2-methoxyphenyl)-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C20H13ClF3N5O2 |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 4.7244 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.07098 |
| Heavy Atoms | 31 |
| Complexity | 1275.2871 |
Chemical Identifiers
| CAS Number | 313987-18-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)C2=NN3C(=CC(=NC3=N2)C4=CC=CC=C4)C(F)(F)F |
Product Overview
ChemDiv3_000890 (CAS 313987-18-7), with molecular formula C20H13ClF3N5O2 and molecular weight 447.07 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv3_000890
Property Insights of ChemDiv3_000890
The XLogP value of 4.7244 indicates that ChemDiv3_000890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000890. Following Lipinski's Rule of Five, ChemDiv3_000890 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 ChemDiv3_000890?
The CAS number of ChemDiv3_000890 is 313987-18-7.
What is the molecular formula of ChemDiv3_000890?
The molecular formula of ChemDiv3_000890 is C20H13ClF3N5O2.
What is the molecular weight of ChemDiv3_000890?
The molecular weight of ChemDiv3_000890 is 447.07 g/mol.
Where can I buy ChemDiv3_000890?
You can request a quote for ChemDiv3_000890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000890?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.