IFLab1_002917
TL;DR: IFLab1_002917 (CAS 1164553-58-5) is a chemical compound with molecular formula C16H16N4O2S3 and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, N-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)acetamide, (Z)-N-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)acetamide, 2-[(2-{[(2Z)-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)thio]-N-1,3-thiazol-2-ylacetamide
| Molecular Formula | C16H16N4O2S3 |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 2.9784 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.04355 |
| Heavy Atoms | 25 |
| Complexity | 943.8547 |
Chemical Identifiers
| CAS Number | 1164553-58-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)NC3=NC=CS3 |
Product Overview
IFLab1_002917 (CAS 1164553-58-5), with molecular formula C16H16N4O2S3 and molecular weight 392.04 g/mol. IUPAC: 2-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of IFLab1_002917
Property Insights of IFLab1_002917
The XLogP value of 2.9784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002917. The TPSA of 76.35 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002917. 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
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 392.04 g/mol.
Where can I buy IFLab1_002917?
You can request a quote for IFLab1_002917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002917?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.