(3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate
TL;DR: (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate (CAS 877648-98-1) is a chemical compound with molecular formula C14H14BrN3O3S and molecular weight 382.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethylsulfanyl-6-methyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-bromobenzoate
Also Known As: (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate, F2527-0216, [3-(ethylsulfanyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 4-bromobenzoate, (3-ethylsulfanyl-6-methyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-bromobenzoate
| Molecular Formula | C14H14BrN3O3S |
|---|---|
| Molecular Weight | 382.99 g/mol |
| LogP | 2.63572 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.99393 |
| Heavy Atoms | 22 |
| Complexity | 731.1032 |
Chemical Identifiers
| CAS Number | 877648-98-1 |
|---|---|
| SMILES | CCSC1=NN=C(C(=O)N1COC(=O)C2=CC=C(C=C2)Br)C |
Product Overview
(3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate (CAS 877648-98-1), with molecular formula C14H14BrN3O3S and molecular weight 382.99 g/mol. IUPAC: (3-ethylsulfanyl-6-methyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-bromobenzoate.
Chemical Property Profile of (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate
Property Insights of (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate
The XLogP value of 2.63572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate. Following Lipinski's Rule of Five, (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate has 0 hydrogen bond donor(s) and 6 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 (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate?
The CAS number of (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate is 877648-98-1.
What is the molecular formula of (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate?
The molecular formula of (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate is C14H14BrN3O3S.
What is the molecular weight of (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate?
The molecular weight of (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate is 382.99 g/mol.
Where can I buy (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate?
You can request a quote for (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.