RefChem:261953
TL;DR: RefChem:261953 (CAS 114436-45-2) is a chemical compound with molecular formula C14H21Cl2N3O3S2 and molecular weight 413.04 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-dimethylazanium chloride
Also Known As: 2-Imidazolidinone, 1-((4-chloro-2-((2-(dimethylamino)ethyl)thio)-5-methylphenyl)sulfonyl)-, monohydrochloride, 1-((4-Chloro-2-((2-(dimethylamino)ethyl)thio)-5-methylphenyl)sulfonyl)-2-imidazolidinone HCl, 1-(4-Chloro-2-(2-dimethylaminoethylthio)-5-methylbenzenesulfonyl)-2-imidazolidinone HCl, 2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylethyl-dimethylazanium chloride, 2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylethyl-dimethylazanium
| Molecular Formula | C14H21Cl2N3O3S2 |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.04013 |
| Heavy Atoms | 24 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 114436-45-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)SCC[NH+](C)C)S(=O)(=O)N2CCNC2=O.[Cl-] |
| InChIKey | XDFZGIYSOADENU-UHFFFAOYSA-N |
Product Overview
RefChem:261953 (CAS 114436-45-2), with molecular formula C14H21Cl2N3O3S2 and molecular weight 413.04 g/mol. IUPAC: 2-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:261953
Property Insights of RefChem:261953
The XLogP value of -2.4 indicates that RefChem:261953 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:261953. Following Lipinski's Rule of Five, RefChem:261953 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:261953?
The CAS number of RefChem:261953 is 114436-45-2.
What is the molecular formula of RefChem:261953?
The molecular formula of RefChem:261953 is C14H21Cl2N3O3S2.
What is the molecular weight of RefChem:261953?
The molecular weight of RefChem:261953 is 413.04 g/mol.
Where can I buy RefChem:261953?
You can request a quote for RefChem:261953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:261953?
Yes, KEHONG BIO provides custom synthesis services for RefChem:261953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.