RefChem:261952
TL;DR: RefChem:261952 (CAS 114436-47-4) is a chemical compound with molecular formula C16H25Cl2N3O3S2 and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylethyl-diethylazanium chloride
Also Known As: 2-Imidazolidinone, 1-((4-chloro-2-((2-(diethylamino)ethyl)thio)-5-methylphenyl)sulfonyl)-, monohydrochloride, 1-((4-Chloro-2-((2-(diethylamino)ethyl)thio)-5-methylphenyl)sulfonyl)-2-imidazolidinone HCl, 1-(4-Chloro-2-(2-diethylaminoethylthio)-5-methylbenzenesulfonyl)-2-imidazolidinone HCl, 2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylethyl-diethylazanium chloride, 2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylethyl-diethylazanium
| Molecular Formula | C16H25Cl2N3O3S2 |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | -1.62 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.07144 |
| Heavy Atoms | 26 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 114436-47-4 |
|---|---|
| SMILES | CC[NH+](CC)CCSC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)N2CCNC2=O.[Cl-] |
| InChIKey | SBDCPALIVSYVSX-UHFFFAOYSA-N |
Product Overview
RefChem:261952 (CAS 114436-47-4), with molecular formula C16H25Cl2N3O3S2 and molecular weight 441.07 g/mol. IUPAC: 2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:261952
Property Insights of RefChem:261952
The XLogP value of -1.62 indicates that RefChem:261952 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:261952. Following Lipinski's Rule of Five, RefChem:261952 has 2 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 RefChem:261952?
The CAS number of RefChem:261952 is 114436-47-4.
What is the molecular formula of RefChem:261952?
The molecular formula of RefChem:261952 is C16H25Cl2N3O3S2.
What is the molecular weight of RefChem:261952?
The molecular weight of RefChem:261952 is 441.07 g/mol.
Where can I buy RefChem:261952?
You can request a quote for RefChem:261952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:261952?
Yes, KEHONG BIO provides custom synthesis services for RefChem:261952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.