![4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one structure](/static/products/6918/691860-50-1.webp)
4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one
TL;DR: 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one (CAS 691860-50-1) is a chemical compound with molecular formula C10H9BrN4OS and molecular weight 311.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazin-5-one
Also Known As: 4-amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one, 4-amino-3-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazin-5-one, 4-amino-3-[(4-bromophenyl)methylthio]-1,2,4-triazin-5-one, 4-AMINO-3-{[(4-BROMOPHENYL)METHYL]SULFANYL}-1,2,4-TRIAZIN-5-ONE, C10H9BrN4OS
| Molecular Formula | C10H9BrN4OS |
|---|---|
| Molecular Weight | 311.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.96805 |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 691860-50-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=CC(=O)N2N)Br |
| InChIKey | WKWCEWARJNPVQD-UHFFFAOYSA-N |
Product Overview
4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one (CAS 691860-50-1), with molecular formula C10H9BrN4OS and molecular weight 311.97 g/mol. IUPAC: 4-amino-3-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazin-5-one.
Chemical Property Profile of 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one
Property Insights of 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one has 1 hydrogen bond donor(s) and 5 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 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one?
The CAS number of 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one is 691860-50-1.
What is the molecular formula of 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one?
The molecular formula of 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one is C10H9BrN4OS.
What is the molecular weight of 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one?
The molecular weight of 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one is 311.97 g/mol.
Where can I buy 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one?
You can request a quote for 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.