IFLab1_002917
TL;DR: IFLab1_002917 (CAS 1164553-58-5) is a chemical compound with molecular formula C16H16N4O2S3 and molecular weight 392.04355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
Also Known As: IFLab1_002917, IDI1_009376, AB00488795-02, F0620-1782, N-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)acetamide
Technical Specifications
| Molecular Formula | C16H16N4O2S3 |
| Molecular Weight | 392.04355 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.04355 Da |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
| SMILES | CCN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)NC3=NC=CS3 |
| InChIKey | JPDMUHBVMTVDPV-UHFFFAOYSA-N |
Chemical Property Profile of IFLab1_002917
Property Insights of IFLab1_002917
The XLogP value of 3.2 indicates that IFLab1_002917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting IFLab1_002917 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, IFLab1_002917 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of IFLab1_002917?
The CAS number of IFLab1_002917 is 1164553-58-5.
What is the molecular formula of IFLab1_002917?
The molecular formula of IFLab1_002917 is C16H16N4O2S3.
What is the molecular weight of IFLab1_002917?
The molecular weight of IFLab1_002917 is 392.04355 g/mol.
Where can I buy IFLab1_002917?
You can request a quote for IFLab1_002917 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IFLab1_002917?
Yes, CoreyChem provides custom synthesis services for IFLab1_002917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.