RefChem:299108
TL;DR: RefChem:299108 (CAS 57583-72-9) is a chemical compound with molecular formula C19H26N6O4S and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[4-[(2,4-dimethyl-3H-1,2,4-triazol-3-yl)diazenyl]phenyl]-methylazanium;methyl sulfate
Also Known As: 5-((4-(Benzylmethylamino)phenyl)azo)-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate, benzyl-[4-[(2,4-dimethyl-3H-1,2,4-triazol-3-yl)diazenyl]phenyl]-methylazanium; methyl sulfate, n-benzyl-4-[(e)-(1,4-dimethyl-4,5-dihydro-1h-1,2,4-triazol-5-yl)diazenyl]-n-methylanilinium methyl sulfate, 5-[[4-[Benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate, 5-4-Benzylmethylaminophenylazo-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
| Molecular Formula | C19H26N6O4S |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 1.31 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1736 |
| Heavy Atoms | 30 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 57583-72-9 |
|---|---|
| SMILES | CN1C=NN(C1N=NC2=CC=C(C=C2)[NH+](C)CC3=CC=CC=C3)C.COS(=O)(=O)[O-] |
| InChIKey | OJOFEQZVVKCEMC-UHFFFAOYSA-N |
Product Overview
RefChem:299108 (CAS 57583-72-9), with molecular formula C19H26N6O4S and molecular weight 434.17 g/mol. IUPAC: benzyl-[4-[(2,4-dimethyl-3H-1,2,4-triazol-3-yl)diazenyl]phenyl]-methylazanium;methyl sulfate.
Chemical Property Profile of RefChem:299108
Property Insights of RefChem:299108
The XLogP value of 1.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:299108. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:299108. Following Lipinski's Rule of Five, RefChem:299108 has 1 hydrogen bond donor(s) and 8 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:299108?
The CAS number of RefChem:299108 is 57583-72-9.
What is the molecular formula of RefChem:299108?
The molecular formula of RefChem:299108 is C19H26N6O4S.
What is the molecular weight of RefChem:299108?
The molecular weight of RefChem:299108 is 434.17 g/mol.
Where can I buy RefChem:299108?
You can request a quote for RefChem:299108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299108?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.