IFLab1_006456
TL;DR: IFLab1_006456 (CAS 868217-61-2) is a chemical compound with molecular formula C18H17ClFN3O3S2 and molecular weight 441.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
Also Known As: IFLab1_006456, F1804-0141, N-{4-[(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)sulfonyl]phenyl}acetamide, N-(4-((2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)sulfonyl)phenyl)acetamide, N-[4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
| Molecular Formula | C18H17ClFN3O3S2 |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | 3.7312 |
| Topological Polar Surface Area | 78.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.0384 |
| Heavy Atoms | 28 |
| Complexity | 1006.6214 |
Chemical Identifiers
| CAS Number | 868217-61-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=C(C=CC=C3Cl)F |
Product Overview
IFLab1_006456 (CAS 868217-61-2), with molecular formula C18H17ClFN3O3S2 and molecular weight 441.04 g/mol. IUPAC: N-[4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide.
Chemical Property Profile of IFLab1_006456
Property Insights of IFLab1_006456
The XLogP value of 3.7312 indicates that IFLab1_006456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.84 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006456. Following Lipinski's Rule of Five, IFLab1_006456 has 1 hydrogen bond donor(s) and 5 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_006456?
The CAS number of IFLab1_006456 is 868217-61-2.
What is the molecular formula of IFLab1_006456?
The molecular formula of IFLab1_006456 is C18H17ClFN3O3S2.
What is the molecular weight of IFLab1_006456?
The molecular weight of IFLab1_006456 is 441.04 g/mol.
Where can I buy IFLab1_006456?
You can request a quote for IFLab1_006456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006456?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.