ChemDiv1_000879
TL;DR: ChemDiv1_000879 (CAS 313987-49-4) is a chemical compound with molecular formula C20H16BrF3N6O and molecular weight 492.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3-imidazol-1-ylpropyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_000879, AB00092971-01, 3-bromo-N-[3-(1H-imidazol-1-yl)propyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(3-imidazol-1-ylpropyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-BROMO-N~2~-[3-(1H-IMIDAZOL-1-YL)PROPYL]-5-PHENYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
| Molecular Formula | C20H16BrF3N6O |
|---|---|
| Molecular Weight | 492.05 g/mol |
| LogP | 4.1942 |
| Topological Polar Surface Area | 77.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.05212 |
| Heavy Atoms | 31 |
| Complexity | 1205.3613 |
Chemical Identifiers
| CAS Number | 313987-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4)Br |
Product Overview
ChemDiv1_000879 (CAS 313987-49-4), with molecular formula C20H16BrF3N6O and molecular weight 492.05 g/mol. IUPAC: 3-bromo-N-(3-imidazol-1-ylpropyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_000879
Property Insights of ChemDiv1_000879
The XLogP value of 4.1942 indicates that ChemDiv1_000879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000879. Following Lipinski's Rule of Five, ChemDiv1_000879 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 ChemDiv1_000879?
The CAS number of ChemDiv1_000879 is 313987-49-4.
What is the molecular formula of ChemDiv1_000879?
The molecular formula of ChemDiv1_000879 is C20H16BrF3N6O.
What is the molecular weight of ChemDiv1_000879?
The molecular weight of ChemDiv1_000879 is 492.05 g/mol.
Where can I buy ChemDiv1_000879?
You can request a quote for ChemDiv1_000879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000879?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.