ChemDiv1_001053
TL;DR: ChemDiv1_001053 (CAS 313986-98-0) is a chemical compound with molecular formula C18H16BrF3N4O and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-tert-butyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_001053, BAS 00398294, BIM-0009255.P001, 3-bromo-N-tert-butyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(tert-butyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C18H16BrF3N4O |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 4.7059 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.04596 |
| Heavy Atoms | 27 |
| Complexity | 1007.3491 |
Chemical Identifiers
| CAS Number | 313986-98-0 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CC=C3)C(F)(F)F |
Product Overview
ChemDiv1_001053 (CAS 313986-98-0), with molecular formula C18H16BrF3N4O and molecular weight 440.05 g/mol. IUPAC: 3-bromo-N-tert-butyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_001053
Property Insights of ChemDiv1_001053
The XLogP value of 4.7059 indicates that ChemDiv1_001053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, ChemDiv1_001053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_001053 has 1 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 ChemDiv1_001053?
The CAS number of ChemDiv1_001053 is 313986-98-0.
What is the molecular formula of ChemDiv1_001053?
The molecular formula of ChemDiv1_001053 is C18H16BrF3N4O.
What is the molecular weight of ChemDiv1_001053?
The molecular weight of ChemDiv1_001053 is 440.05 g/mol.
Where can I buy ChemDiv1_001053?
You can request a quote for ChemDiv1_001053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001053?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.