4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one
TL;DR: 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one (CAS 869068-10-0) is a chemical compound with molecular formula C13H13N5O2S and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one
Also Known As: AB00676410-01, F1847-0134, 4-amino-3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one, 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one, 4-amino-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one
| Molecular Formula | C13H13N5O2S |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 0.0335 |
| Topological Polar Surface Area | 94.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.079 |
| Heavy Atoms | 21 |
| Complexity | 745.3366 |
Chemical Identifiers
| CAS Number | 869068-10-0 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=CC(=O)N3N |
Product Overview
4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one (CAS 869068-10-0), with molecular formula C13H13N5O2S and molecular weight 303.08 g/mol. IUPAC: 4-amino-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one
Property Insights of 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one
The XLogP value of 0.0335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one. The TPSA of 94.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one. Following Lipinski's Rule of Five, 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one has 1 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 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one?
The CAS number of 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one is 869068-10-0.
What is the molecular formula of 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one?
The molecular formula of 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one is C13H13N5O2S.
What is the molecular weight of 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one?
The molecular weight of 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one is 303.08 g/mol.
Where can I buy 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one?
You can request a quote for 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-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-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-3-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,2,4-triazin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.