RefChem:591463
TL;DR: RefChem:591463 (CAS 72906-39-9) is a chemical compound with molecular formula C21H27N6O4PS-2 and molecular weight 490.16 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 phosphate
Also Known As: Ethanaminium, 2-(ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)-N,N,N-trimethyl-, phosphate (1:1), Ethanaminium, 2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-N,N,N-trimethyl-, phosphate (1:1), Ethanaminium, 2-(ethyl(4-(2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl)phenyl)amino)-N,N,N-trimethyl-, phosphate (1:1), (2-(Ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)phenyl)amino)ethyl)trimethylammonium dihydrogen phosphate, [2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium dihydrogen phosphate
| Molecular Formula | C21H27N6O4PS-2 |
|---|---|
| Molecular Weight | 490.16 g/mol |
| LogP | 2.3284 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.1552 |
| Heavy Atoms | 33 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 72906-39-9 |
|---|---|
| SMILES | CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3.[O-]P(=O)([O-])[O-] |
| InChIKey | SUGVLKGADNYBOA-UHFFFAOYSA-K |
Product Overview
RefChem:591463 (CAS 72906-39-9), with molecular formula C21H27N6O4PS-2 and molecular weight 490.16 g/mol. IUPAC: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium phosphate.
Chemical Property Profile of RefChem:591463
Property Insights of RefChem:591463
The XLogP value of 2.3284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:591463. The TPSA of 168.0 Ų indicates high polarity, suggesting RefChem:591463 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:591463 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:591463?
The CAS number of RefChem:591463 is 72906-39-9.
What is the molecular formula of RefChem:591463?
The molecular formula of RefChem:591463 is C21H27N6O4PS-2.
What is the molecular weight of RefChem:591463?
The molecular weight of RefChem:591463 is 490.16 g/mol.
Where can I buy RefChem:591463?
You can request a quote for RefChem:591463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:591463?
Yes, KEHONG BIO provides custom synthesis services for RefChem:591463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.