IFLab1_002935
TL;DR: IFLab1_002935 (CAS 852142-90-6) is a chemical compound with molecular formula C19H15F2N5OS and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: IFLab1_002935, IDI1_009394, F0653-0040, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-difluorophenyl)acetamide, N-(2,4-difluorophenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H15F2N5OS |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 3.9724 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.09653 |
| Heavy Atoms | 28 |
| Complexity | 1170.313 |
Chemical Identifiers
| CAS Number | 852142-90-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)C3=CNC4=CC=CC=C43 |
Product Overview
IFLab1_002935 (CAS 852142-90-6), with molecular formula C19H15F2N5OS and molecular weight 399.10 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of IFLab1_002935
Property Insights of IFLab1_002935
The XLogP value of 3.9724 indicates that IFLab1_002935 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002935. Following Lipinski's Rule of Five, IFLab1_002935 has 2 hydrogen bond donor(s) and 4 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_002935?
The CAS number of IFLab1_002935 is 852142-90-6.
What is the molecular formula of IFLab1_002935?
The molecular formula of IFLab1_002935 is C19H15F2N5OS.
What is the molecular weight of IFLab1_002935?
The molecular weight of IFLab1_002935 is 399.10 g/mol.
Where can I buy IFLab1_002935?
You can request a quote for IFLab1_002935 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002935?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002935 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.