IFLab1_001710
TL;DR: IFLab1_001710 (CAS 392300-13-9) is a chemical compound with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
Also Known As: IFLab1_001710, BRD-K22542981-001-05-2, N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylbenzamide, 4-methyl-N-(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide, N-(5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
| Molecular Formula | C21H20N4O2S2 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 4.17032 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.10278 |
| Heavy Atoms | 29 |
| Complexity | 1033.1702 |
Chemical Identifiers
| CAS Number | 392300-13-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)N3CCCC4=CC=CC=C43 |
Product Overview
IFLab1_001710 (CAS 392300-13-9), with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol. IUPAC: N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylbenzamide.
Chemical Property Profile of IFLab1_001710
Property Insights of IFLab1_001710
The XLogP value of 4.17032 indicates that IFLab1_001710 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_001710. Following Lipinski's Rule of Five, IFLab1_001710 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_001710?
The CAS number of IFLab1_001710 is 392300-13-9.
What is the molecular formula of IFLab1_001710?
The molecular formula of IFLab1_001710 is C21H20N4O2S2.
What is the molecular weight of IFLab1_001710?
The molecular weight of IFLab1_001710 is 424.10 g/mol.
Where can I buy IFLab1_001710?
You can request a quote for IFLab1_001710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001710?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.