IFLab1_001992
TL;DR: IFLab1_001992 (CAS 391875-04-0) is a chemical compound with molecular formula C18H14ClN3O3S2 and molecular weight 419.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: IFLab1_001992, F0470-0358, 5-chloro-2-methoxy-N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 5-chloro-2-methoxy-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide, 5-chloro-2-methoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
| Molecular Formula | C18H14ClN3O3S2 |
|---|---|
| Molecular Weight | 419.02 g/mol |
| LogP | 4.4274 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.0165 |
| Heavy Atoms | 27 |
| Complexity | 963.49554 |
Chemical Identifiers
| CAS Number | 391875-04-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3 |
Product Overview
IFLab1_001992 (CAS 391875-04-0), with molecular formula C18H14ClN3O3S2 and molecular weight 419.02 g/mol. IUPAC: 5-chloro-2-methoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of IFLab1_001992
Property Insights of IFLab1_001992
The XLogP value of 4.4274 indicates that IFLab1_001992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001992. Following Lipinski's Rule of Five, IFLab1_001992 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_001992?
The CAS number of IFLab1_001992 is 391875-04-0.
What is the molecular formula of IFLab1_001992?
The molecular formula of IFLab1_001992 is C18H14ClN3O3S2.
What is the molecular weight of IFLab1_001992?
The molecular weight of IFLab1_001992 is 419.02 g/mol.
Where can I buy IFLab1_001992?
You can request a quote for IFLab1_001992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001992?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.