IFLab1_002979
TL;DR: IFLab1_002979 (CAS 831232-52-1) is a chemical compound with molecular formula C18H21N5OS and molecular weight 355.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: IFLab1_002979, IDI1_009438, N-cyclopentyl-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, F0653-0065, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-cyclopentylacetamide
| Molecular Formula | C18H21N5OS |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 3.1143 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.14667 |
| Heavy Atoms | 25 |
| Complexity | 893.8986 |
Chemical Identifiers
| CAS Number | 831232-52-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2CCCC2)C3=CNC4=CC=CC=C43 |
Product Overview
IFLab1_002979 (CAS 831232-52-1), with molecular formula C18H21N5OS and molecular weight 355.15 g/mol. IUPAC: N-cyclopentyl-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of IFLab1_002979
Property Insights of IFLab1_002979
The XLogP value of 3.1143 indicates that IFLab1_002979 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_002979. Following Lipinski's Rule of Five, IFLab1_002979 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_002979?
The CAS number of IFLab1_002979 is 831232-52-1.
What is the molecular formula of IFLab1_002979?
The molecular formula of IFLab1_002979 is C18H21N5OS.
What is the molecular weight of IFLab1_002979?
The molecular weight of IFLab1_002979 is 355.15 g/mol.
Where can I buy IFLab1_002979?
You can request a quote for IFLab1_002979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002979?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.