RefChem:438557
TL;DR: RefChem:438557 (CAS 84788-02-3) is a chemical compound with molecular formula C20H27N5O4S and molecular weight 433.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-diethylaniline;methyl sulfate
Also Known As: 1H-Indazolium, 3-[[4-(diethylamino)phenyl]azo]-1,2-dimethyl-, methyl sulfate, 1H-Indazolium, 3-((4-(diethylamino)phenyl)azo)-1,2-dimethyl-, methyl sulfate, 3-((4-(Diethylamino)phenyl)azo)-1,2-dimethyl-1H-indazolium methyl sulphate, 1H-Indazolium, 3-(2-(4-(diethylamino)phenyl)diazenyl)-1,2-dimethyl-, methyl sulfate (1:1), 3-[[4- phenyl]azo]-1,2-dimethyl-1H-indazoliummethylsulphate
| Molecular Formula | C20H27N5O4S |
|---|---|
| Molecular Weight | 433.18 g/mol |
| LogP | 3.3574 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.17838 |
| Heavy Atoms | 30 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 84788-02-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](N(C3=CC=CC=C32)C)C.COS(=O)(=O)[O-] |
| InChIKey | PUJSRYQYFNCEIP-UHFFFAOYSA-M |
Product Overview
RefChem:438557 (CAS 84788-02-3), with molecular formula C20H27N5O4S and molecular weight 433.18 g/mol. IUPAC: 4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-diethylaniline;methyl sulfate.
Chemical Property Profile of RefChem:438557
Property Insights of RefChem:438557
The XLogP value of 3.3574 indicates that RefChem:438557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:438557. Following Lipinski's Rule of Five, RefChem:438557 has 0 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:438557?
The CAS number of RefChem:438557 is 84788-02-3.
What is the molecular formula of RefChem:438557?
The molecular formula of RefChem:438557 is C20H27N5O4S.
What is the molecular weight of RefChem:438557?
The molecular weight of RefChem:438557 is 433.18 g/mol.
Where can I buy RefChem:438557?
You can request a quote for RefChem:438557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438557?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.