ChemDiv3_005765
TL;DR: ChemDiv3_005765 (CAS 438532-73-1) is a chemical compound with molecular formula C22H20BrF3N4O and molecular weight 492.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-N-(2-phenylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv3_005765, IDI1_023675, BRD-A23987438-001-01-8, 5-(4-bromophenyl)-N-(2-phenylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-bromophenyl)-N-phenethyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C22H20BrF3N4O |
|---|---|
| Molecular Weight | 492.08 g/mol |
| LogP | 5.2784 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.07727 |
| Heavy Atoms | 31 |
| Complexity | 1050.868 |
Chemical Identifiers
| CAS Number | 438532-73-1 |
|---|---|
| SMILES | C1C(NC2=CC(=NN2C1C(F)(F)F)C(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv3_005765 (CAS 438532-73-1), with molecular formula C22H20BrF3N4O and molecular weight 492.08 g/mol. IUPAC: 5-(4-bromophenyl)-N-(2-phenylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv3_005765
Property Insights of ChemDiv3_005765
The XLogP value of 5.2784 indicates that ChemDiv3_005765 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, ChemDiv3_005765 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005765 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005765?
The CAS number of ChemDiv3_005765 is 438532-73-1.
What is the molecular formula of ChemDiv3_005765?
The molecular formula of ChemDiv3_005765 is C22H20BrF3N4O.
What is the molecular weight of ChemDiv3_005765?
The molecular weight of ChemDiv3_005765 is 492.08 g/mol.
Where can I buy ChemDiv3_005765?
You can request a quote for ChemDiv3_005765 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005765?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005765 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.