RefChem:138054
TL;DR: RefChem:138054 (CAS 72749-73-6) is a chemical compound with molecular formula C21H27N6O4S2- and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium sulfate
Also Known As: Ethanaminium, 2-(ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethyl-, sulfate (1:1), 2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-phenyl)amino)-N,N,N-trimethylethanaminium, hydrogen sulfate, Ethanaminium, 2-(ethyl(4-(2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl)phenyl)amino)-N,N,N-trimethyl-, sulfate (1:1), Ethanaminium, 2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-, sulfate (1:1), Ethanaminium, 2-[ethyl[4-[2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]-N,N,N-trimethyl-, sulfate (1:1)
| Molecular Formula | C21H27N6O4S2- |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 3.815 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.15353 |
| Heavy Atoms | 33 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 72749-73-6 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3.[O-]S(=O)(=O)[O-] |
| InChIKey | ZVVIGMZJYMRCAI-UHFFFAOYSA-L |
Product Overview
RefChem:138054 (CAS 72749-73-6), with molecular formula C21H27N6O4S2- and molecular weight 491.15 g/mol. IUPAC: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium sulfate.
Chemical Property Profile of RefChem:138054
Property Insights of RefChem:138054
The XLogP value of 3.815 indicates that RefChem:138054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting RefChem:138054 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138054 has 0 hydrogen bond donor(s) and 10 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:138054?
The CAS number of RefChem:138054 is 72749-73-6.
What is the molecular formula of RefChem:138054?
The molecular formula of RefChem:138054 is C21H27N6O4S2-.
What is the molecular weight of RefChem:138054?
The molecular weight of RefChem:138054 is 491.15 g/mol.
Where can I buy RefChem:138054?
You can request a quote for RefChem:138054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.