ChemDiv1_004089
TL;DR: ChemDiv1_004089 (CAS 332852-62-7) is a chemical compound with molecular formula C19H16BrF3N4OS2 and molecular weight 515.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(2-methylsulfanylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_004089, BAS 01841062, BIM-0014558.P001, 3-bromo-N-(2-(methylthio)phenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-[2-(methylsulfanyl)phenyl]-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C19H16BrF3N4OS2 |
|---|---|
| Molecular Weight | 515.99 g/mol |
| LogP | 6.3416 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.9901 |
| Heavy Atoms | 30 |
| Complexity | 1068.4166 |
Chemical Identifiers
| CAS Number | 332852-62-7 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)C2=NN3C(CC(NC3=C2Br)C4=CC=CS4)C(F)(F)F |
Product Overview
ChemDiv1_004089 (CAS 332852-62-7), with molecular formula C19H16BrF3N4OS2 and molecular weight 515.99 g/mol. IUPAC: 3-bromo-N-(2-methylsulfanylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_004089
Property Insights of ChemDiv1_004089
The XLogP value of 6.3416 indicates that ChemDiv1_004089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, ChemDiv1_004089 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004089 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004089?
The CAS number of ChemDiv1_004089 is 332852-62-7.
What is the molecular formula of ChemDiv1_004089?
The molecular formula of ChemDiv1_004089 is C19H16BrF3N4OS2.
What is the molecular weight of ChemDiv1_004089?
The molecular weight of ChemDiv1_004089 is 515.99 g/mol.
Where can I buy ChemDiv1_004089?
You can request a quote for ChemDiv1_004089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004089?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.