IFLab1_001886
TL;DR: IFLab1_001886 (CAS 476466-65-6) is a chemical compound with molecular formula C19H24N4O2S2 and molecular weight 404.13 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]-3-phenylpropanamide
Also Known As: IFLab1_001886, F0529-0760, N-(5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide, N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide, N-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
| Molecular Formula | C19H24N4O2S2 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.6041 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.13406 |
| Heavy Atoms | 27 |
| Complexity | 743.17773 |
Chemical Identifiers
| CAS Number | 476466-65-6 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3 |
Product Overview
IFLab1_001886 (CAS 476466-65-6), with molecular formula C19H24N4O2S2 and molecular weight 404.13 g/mol. IUPAC: N-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
Chemical Property Profile of IFLab1_001886
Property Insights of IFLab1_001886
The XLogP value of 3.6041 indicates that IFLab1_001886 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_001886. Following Lipinski's Rule of Five, IFLab1_001886 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_001886?
The CAS number of IFLab1_001886 is 476466-65-6.
What is the molecular formula of IFLab1_001886?
The molecular formula of IFLab1_001886 is C19H24N4O2S2.
What is the molecular weight of IFLab1_001886?
The molecular weight of IFLab1_001886 is 404.13 g/mol.
Where can I buy IFLab1_001886?
You can request a quote for IFLab1_001886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001886?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.