IFLab1_001842
TL;DR: IFLab1_001842 (CAS 476466-59-8) is a chemical compound with molecular formula C16H20N4O2S3 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
Also Known As: IFLab1_001842, AB00684395-01, F0529-0754, N-(5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide, N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
| Molecular Formula | C16H20N4O2S3 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 3.2755 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.07483 |
| Heavy Atoms | 25 |
| Complexity | 694.0631 |
Chemical Identifiers
| CAS Number | 476466-59-8 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)CC3=CC=CS3 |
Product Overview
IFLab1_001842 (CAS 476466-59-8), with molecular formula C16H20N4O2S3 and molecular weight 396.07 g/mol. IUPAC: N-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
Chemical Property Profile of IFLab1_001842
Property Insights of IFLab1_001842
The XLogP value of 3.2755 indicates that IFLab1_001842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001842. Following Lipinski's Rule of Five, IFLab1_001842 has 1 hydrogen bond donor(s) and 7 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_001842?
The CAS number of IFLab1_001842 is 476466-59-8.
What is the molecular formula of IFLab1_001842?
The molecular formula of IFLab1_001842 is C16H20N4O2S3.
What is the molecular weight of IFLab1_001842?
The molecular weight of IFLab1_001842 is 396.07 g/mol.
Where can I buy IFLab1_001842?
You can request a quote for IFLab1_001842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001842?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.