RefChem:138052
TL;DR: RefChem:138052 (CAS 3405-15-0) is a chemical compound with molecular formula C23H32N6O4S2 and molecular weight 520.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium;methyl sulfate
Also Known As: 2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-3-methylphenyl)amino)-N,N,N-trimethylethanaminium methyl sulfate, [2-[Ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium methyl sulphate, 2-(Ethyl(3-methyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethylethanaminium methyl sulfate, Ethanaminium, 2-(ethyl(3-methyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethyl-, methyl sulfate, Ethanaminium, 2-(ethyl(3-methyl-4-(2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl)phenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1)
| Molecular Formula | C23H32N6O4S2 |
|---|---|
| Molecular Weight | 520.19 g/mol |
| LogP | 4.55442 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.1926 |
| Heavy Atoms | 35 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 3405-15-0 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)C)C1=CC(=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3)C.COS(=O)(=O)[O-] |
| InChIKey | ABTAMTTWNRHXGT-UHFFFAOYSA-M |
Product Overview
RefChem:138052 (CAS 3405-15-0), with molecular formula C23H32N6O4S2 and molecular weight 520.19 g/mol. IUPAC: 2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of RefChem:138052
Property Insights of RefChem:138052
The XLogP value of 4.55442 indicates that RefChem:138052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:138052 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138052 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138052?
The CAS number of RefChem:138052 is 3405-15-0.
What is the molecular formula of RefChem:138052?
The molecular formula of RefChem:138052 is C23H32N6O4S2.
What is the molecular weight of RefChem:138052?
The molecular weight of RefChem:138052 is 520.19 g/mol.
Where can I buy RefChem:138052?
You can request a quote for RefChem:138052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138052?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.