ChemDiv1_004131
TL;DR: ChemDiv1_004131 (CAS 332852-53-6) is a chemical compound with molecular formula C19H15BrF4N4OS and molecular weight 502.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_004131, BAS 01841046, 3-bromo-N-(4-fluorobenzyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, [3-bromo-5-(2-thienyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diaz aperhydroin-2-yl)]-N-[(4-fluorophenyl)methyl]carboxamide, 3-bromo-N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C19H15BrF4N4OS |
|---|---|
| Molecular Weight | 502.01 g/mol |
| LogP | 5.4365 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.0086 |
| Heavy Atoms | 30 |
| Complexity | 1049.9215 |
Chemical Identifiers
| CAS Number | 332852-53-6 |
|---|---|
| SMILES | C1C(NC2=C(C(=NN2C1C(F)(F)F)C(=O)NCC3=CC=C(C=C3)F)Br)C4=CC=CS4 |
Product Overview
ChemDiv1_004131 (CAS 332852-53-6), with molecular formula C19H15BrF4N4OS and molecular weight 502.01 g/mol. IUPAC: 3-bromo-N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_004131
Property Insights of ChemDiv1_004131
The XLogP value of 5.4365 indicates that ChemDiv1_004131 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_004131 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004131 has 2 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_004131?
The CAS number of ChemDiv1_004131 is 332852-53-6.
What is the molecular formula of ChemDiv1_004131?
The molecular formula of ChemDiv1_004131 is C19H15BrF4N4OS.
What is the molecular weight of ChemDiv1_004131?
The molecular weight of ChemDiv1_004131 is 502.01 g/mol.
Where can I buy ChemDiv1_004131?
You can request a quote for ChemDiv1_004131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004131?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.