DITA
TL;DR: DITA (CAS 33983-16-3) is a chemical compound with molecular formula C11H11BrCl2N2OS and molecular weight 367.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone bromide
Also Known As: DITA, 2-(3,4-Dichlorophenacylthio)-2-imidazoline hydrobromide, 3',4'-Dichloro-2-(2-imidazolin-2-ylthio)acetophenone hydrobromide, ACETOPHENONE, 3',4'-DICHLORO-2-(2-IMIDAZOLIN-2-YLTHIO)-, MONOHYDROBROMIDE, 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone;bromide
| Molecular Formula | C11H11BrCl2N2OS |
|---|---|
| Molecular Weight | 367.92 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.91525 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 33983-16-3 |
|---|---|
| SMILES | C1CN=C([NH2+]1)SCC(=O)C2=CC(=C(C=C2)Cl)Cl.[Br-] |
| InChIKey | MMDGOHSHOHOPGN-UHFFFAOYSA-N |
Product Overview
DITA (CAS 33983-16-3), with molecular formula C11H11BrCl2N2OS and molecular weight 367.92 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone bromide.
Chemical Property Profile of DITA
Property Insights of DITA
The XLogP value of -1.15 indicates that DITA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for DITA. Following Lipinski's Rule of Five, DITA has 1 hydrogen bond donor(s) and 4 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 DITA?
The CAS number of DITA is 33983-16-3.
What is the molecular formula of DITA?
The molecular formula of DITA is C11H11BrCl2N2OS.
What is the molecular weight of DITA?
The molecular weight of DITA is 367.92 g/mol.
Where can I buy DITA?
You can request a quote for DITA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DITA?
Yes, KEHONG BIO provides custom synthesis services for DITA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.