RefChem:79828
TL;DR: RefChem:79828 (CAS 70236-46-3) is a chemical compound with molecular formula C13H18Cl3N5Zn and molecular weight 412.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;trichloride
Also Known As: 1H-Imidazolium, 2-((4-(dimethylamino)phenyl)azo)-1,3-dimethyl-, trichlorozincate(1-), 1H-Imidazolium, 2-(2-(4-(dimethylamino)phenyl)diazenyl)-1,3-dimethyl-, trichlorozincate(1-) (1:1), 1H-Imidazolium, 2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-, trichlorozincate(1-), 2-((4-(Dimethylamino)phenyl)azo)-1,3-dimethyl-1H-imidazolium trichlorozincate(1-), 2-[[4-(DIMETHYLAMINO)PHENYL]AZO]-1,3-DIMETHYL-1H-IMIDAZOLIUM TRICHLOROZINCATE(1-)
| Molecular Formula | C13H18Cl3N5Zn |
|---|---|
| Molecular Weight | 412.99 g/mol |
| LogP | -6.6595 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.9919 |
| Heavy Atoms | 22 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 70236-46-3 |
|---|---|
| SMILES | CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C.[Cl-].[Cl-].[Cl-].[Zn+2] |
| InChIKey | MQMGJOPFLDWPMU-UHFFFAOYSA-K |
Product Overview
RefChem:79828 (CAS 70236-46-3), with molecular formula C13H18Cl3N5Zn and molecular weight 412.99 g/mol. IUPAC: zinc;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;trichloride.
Chemical Property Profile of RefChem:79828
Property Insights of RefChem:79828
The XLogP value of -6.6595 indicates that RefChem:79828 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.8 Ų, RefChem:79828 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79828 has 0 hydrogen bond donor(s) and 6 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:79828?
The CAS number of RefChem:79828 is 70236-46-3.
What is the molecular formula of RefChem:79828?
The molecular formula of RefChem:79828 is C13H18Cl3N5Zn.
What is the molecular weight of RefChem:79828?
The molecular weight of RefChem:79828 is 412.99 g/mol.
Where can I buy RefChem:79828?
You can request a quote for RefChem:79828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79828?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.