RefChem:79830
TL;DR: RefChem:79830 (CAS 63589-32-2) is a chemical compound with molecular formula C12H15ClN4O4S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)diazene;methyl sulfate
Also Known As: 1H-Imidazolium, 2-((4-chlorophenyl)azo)-1,3-dimethyl-, methyl sulfate, 1H-Imidazolium, 2-[(4-chlorophenyl)azo]-1,3-dimethyl-, methyl sulfate, 1H-Imidazolium, 2-(2-(4-chlorophenyl)diazenyl)-1,3-dimethyl-, methyl sulfate (1:1), 2-[(e)-(4-chlorophenyl)diazenyl]-1,3-dimethyl-1h-imidazol-3-ium methyl sulfate, (4-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)diazene; methyl sulfate
| Molecular Formula | C12H15ClN4O4S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 2.01 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.05026 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 63589-32-2 |
|---|---|
| SMILES | CN1C=C[N+](=C1N=NC2=CC=C(C=C2)Cl)C.COS(=O)(=O)[O-] |
| InChIKey | KHAMULZYMZWZLN-UHFFFAOYSA-M |
Product Overview
RefChem:79830 (CAS 63589-32-2), with molecular formula C12H15ClN4O4S and molecular weight 346.05 g/mol. IUPAC: (4-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)diazene;methyl sulfate.
Chemical Property Profile of RefChem:79830
Property Insights of RefChem:79830
The XLogP value of 2.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79830. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79830. Following Lipinski's Rule of Five, RefChem:79830 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:79830?
The CAS number of RefChem:79830 is 63589-32-2.
What is the molecular formula of RefChem:79830?
The molecular formula of RefChem:79830 is C12H15ClN4O4S.
What is the molecular weight of RefChem:79830?
The molecular weight of RefChem:79830 is 346.05 g/mol.
Where can I buy RefChem:79830?
You can request a quote for RefChem:79830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79830?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.