KST-1B3427
TL;DR: KST-1B3427 (CAS 34950-20-4) is a chemical compound with molecular formula C18H22N6O6S and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-ethyl-5-methyltriazol-2-yl)-3-(4-methyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)chromen-2-one;methyl sulfate
Also Known As: KST-1B3427, KST-1B3428, 1-(7-(4-Ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl)-4-methyl-1H-1,2,4-triazolium methyl sulphate, 1-[7-(4-ethyl-5-methyl-2h-1,2,3-triazol-2-yl)-2-oxo-2h-chromen-3-yl]-4-methyl-4,5-dihydro-1h-1,2,4-triazol-1-ium methyl sulfate, 1H-1,2,4-Triazolium, 1-(7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl)-4-methyl-, methyl sulfate
| Molecular Formula | C18H22N6O6S |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | -0.29988 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.13214 |
| Heavy Atoms | 31 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 34950-20-4 |
|---|---|
| SMILES | CCC1=NN(N=C1C)C2=CC3=C(C=C2)C=C(C(=O)O3)[NH+]4CN(C=N4)C.COS(=O)(=O)[O-] |
| InChIKey | FJFKCKQUPJGLTM-UHFFFAOYSA-N |
Product Overview
KST-1B3427 (CAS 34950-20-4), with molecular formula C18H22N6O6S and molecular weight 450.13 g/mol. IUPAC: 7-(4-ethyl-5-methyltriazol-2-yl)-3-(4-methyl-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)chromen-2-one;methyl sulfate.
Chemical Property Profile of KST-1B3427
Property Insights of KST-1B3427
The XLogP value of -0.29988 indicates that KST-1B3427 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting KST-1B3427 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B3427 has 1 hydrogen bond donor(s) and 9 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 KST-1B3427?
The CAS number of KST-1B3427 is 34950-20-4.
What is the molecular formula of KST-1B3427?
The molecular formula of KST-1B3427 is C18H22N6O6S.
What is the molecular weight of KST-1B3427?
The molecular weight of KST-1B3427 is 450.13 g/mol.
Where can I buy KST-1B3427?
You can request a quote for KST-1B3427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3427?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.