ChemDiv1_012583
TL;DR: ChemDiv1_012583 (CAS 313245-41-9) is a chemical compound with molecular formula C21H12F3N5OS and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-quinolin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_012583, N-(quinolin-3-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, F0452-5477, N-quinolin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H12F3N5OS |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 5.2771 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.07147 |
| Heavy Atoms | 31 |
| Complexity | 1426.5426 |
Chemical Identifiers
| CAS Number | 313245-41-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=N2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CS5)C(F)(F)F |
Product Overview
ChemDiv1_012583 (CAS 313245-41-9), with molecular formula C21H12F3N5OS and molecular weight 439.07 g/mol. IUPAC: N-quinolin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_012583
Property Insights of ChemDiv1_012583
The XLogP value of 5.2771 indicates that ChemDiv1_012583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012583. Following Lipinski's Rule of Five, ChemDiv1_012583 has 1 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_012583?
The CAS number of ChemDiv1_012583 is 313245-41-9.
What is the molecular formula of ChemDiv1_012583?
The molecular formula of ChemDiv1_012583 is C21H12F3N5OS.
What is the molecular weight of ChemDiv1_012583?
The molecular weight of ChemDiv1_012583 is 439.07 g/mol.
Where can I buy ChemDiv1_012583?
You can request a quote for ChemDiv1_012583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012583?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.