IFLab1_002089
TL;DR: IFLab1_002089 (CAS 313248-61-2) is a chemical compound with molecular formula C14H8F3N5OS and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: IFLab1_002089, N-(cyanomethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, BAS 00924618, N-(cyanomethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, F0452-5760
| Molecular Formula | C14H8F3N5OS |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 2.72998 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.04016 |
| Heavy Atoms | 24 |
| Complexity | 939.8652 |
Chemical Identifiers
| CAS Number | 313248-61-2 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCC#N |
Product Overview
IFLab1_002089 (CAS 313248-61-2), with molecular formula C14H8F3N5OS and molecular weight 351.04 g/mol. IUPAC: N-(cyanomethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of IFLab1_002089
Property Insights of IFLab1_002089
The XLogP value of 2.72998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002089. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002089. Following Lipinski's Rule of Five, IFLab1_002089 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_002089?
The CAS number of IFLab1_002089 is 313248-61-2.
What is the molecular formula of IFLab1_002089?
The molecular formula of IFLab1_002089 is C14H8F3N5OS.
What is the molecular weight of IFLab1_002089?
The molecular weight of IFLab1_002089 is 351.04 g/mol.
Where can I buy IFLab1_002089?
You can request a quote for IFLab1_002089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002089?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.