RefChem:79829
TL;DR: RefChem:79829 (CAS 1983-41-1) is a chemical compound with molecular formula C12H17N5O4S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;methyl sulfate
Also Known As: 1H-Imidazolium, 2-((4-aminophenyl)azo)-1,3-dimethyl-, methyl sulfate, 1H-Imidazolium, 2-(2-(4-aminophenyl)diazenyl)-1,3-dimethyl-, methyl sulfate (1:1), 1H-Imidazolium, 2-[(4-aminophenyl)azo]-1,3-dimethyl-, methyl sulfate, 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline; methyl sulfate, 1H-Imidazolium, 2-[2-(4-aminophenyl)diazenyl]-1,3-dimethyl-, methyl sulfate (1:1)
| Molecular Formula | C12H17N5O4S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 0.9402 |
| Topological Polar Surface Area | 125.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.10013 |
| Heavy Atoms | 22 |
| Complexity | 717.87714 |
Chemical Identifiers
| CAS Number | 1983-41-1 |
|---|---|
| SMILES | CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N)C.COS(=O)(=O)[O-] |
Product Overview
RefChem:79829 (CAS 1983-41-1), with molecular formula C12H17N5O4S and molecular weight 327.10 g/mol. IUPAC: 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;methyl sulfate.
Chemical Property Profile of RefChem:79829
Property Insights of RefChem:79829
The XLogP value of 0.9402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79829. The TPSA of 125.98 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79829. Following Lipinski's Rule of Five, RefChem:79829 has 1 hydrogen bond donor(s) and 7 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:79829?
The CAS number of RefChem:79829 is 1983-41-1.
What is the molecular formula of RefChem:79829?
The molecular formula of RefChem:79829 is C12H17N5O4S.
What is the molecular weight of RefChem:79829?
The molecular weight of RefChem:79829 is 327.10 g/mol.
Where can I buy RefChem:79829?
You can request a quote for RefChem:79829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79829?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.