RefChem:95758
TL;DR: RefChem:95758 (CAS 84787-87-1) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-2-phenylindol-3-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene acetate
Also Known As: 3-methyl-2-[ azo]thiazoliumacetate, 3-Methyl-2-((1-methyl-2-phenyl-1H-indol-3-yl)azo)thiazolium acetate, 3H-Indolium, 1-methyl-3-[(3-methyl-2(3H)-thiazolylidene)hydrazono]-2-phenyl-, acetate, 3H-Indolium, 1-methyl-3-((3-methyl-2(3H)-thiazolylidene)hydrazono)-2-phenyl-, acetate, 3-METHYL-2-[(1-METHYL-2-PHENYL-1H-INDOL-3-YL)AZO]THIAZOLIUM ACETATE
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.9029 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 84787-87-1 |
|---|---|
| SMILES | CC(=O)[O-].CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=[N+](C=CS4)C |
| InChIKey | ZKJQYZFOLOZTBN-UHFFFAOYSA-M |
Product Overview
RefChem:95758 (CAS 84787-87-1), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: (1-methyl-2-phenylindol-3-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene acetate.
Chemical Property Profile of RefChem:95758
Property Insights of RefChem:95758
The XLogP value of 3.9029 indicates that RefChem:95758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:95758. Following Lipinski's Rule of Five, RefChem:95758 has 0 hydrogen bond donor(s) and 5 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:95758?
The CAS number of RefChem:95758 is 84787-87-1.
What is the molecular formula of RefChem:95758?
The molecular formula of RefChem:95758 is C21H20N4O2S.
What is the molecular weight of RefChem:95758?
The molecular weight of RefChem:95758 is 392.13 g/mol.
Where can I buy RefChem:95758?
You can request a quote for RefChem:95758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.