ChemDiv1_004177
TL;DR: ChemDiv1_004177 (CAS 332852-64-9) is a chemical compound with molecular formula C21H18BrF3N4OS and molecular weight 510.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
Also Known As: ChemDiv1_004177, BAS 01841067, BIM-0014539.P001, (3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone, [3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](3,4-dihydroquinolin-1(2H)-yl)methanone
| Molecular Formula | C21H18BrF3N4OS |
|---|---|
| Molecular Weight | 510.03 g/mol |
| LogP | 5.9604 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 510.0337 |
| Heavy Atoms | 31 |
| Complexity | 1128.3461 |
Chemical Identifiers
| CAS Number | 332852-64-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(CC(NC4=C3Br)C5=CC=CS5)C(F)(F)F |
Product Overview
ChemDiv1_004177 (CAS 332852-64-9), with molecular formula C21H18BrF3N4OS and molecular weight 510.03 g/mol. IUPAC: [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
Chemical Property Profile of ChemDiv1_004177
Property Insights of ChemDiv1_004177
The XLogP value of 5.9604 indicates that ChemDiv1_004177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.16 Ų, ChemDiv1_004177 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004177 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004177?
The CAS number of ChemDiv1_004177 is 332852-64-9.
What is the molecular formula of ChemDiv1_004177?
The molecular formula of ChemDiv1_004177 is C21H18BrF3N4OS.
What is the molecular weight of ChemDiv1_004177?
The molecular weight of ChemDiv1_004177 is 510.03 g/mol.
Where can I buy ChemDiv1_004177?
You can request a quote for ChemDiv1_004177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004177?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.