1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-
TL;DR: 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo- (CAS 69830-31-5) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-phenylbuta-1,3-dienyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-sulfanylidene-2H-1,2,4, 6-(4-phenylbuta-1,3-dienyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one, 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.55409 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 683.1277 |
Chemical Identifiers
| CAS Number | 69830-31-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=CC2=NNC(=S)NC2=O |
Product Overview
1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo- (CAS 69830-31-5), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 6-(4-phenylbuta-1,3-dienyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-
Property Insights of 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-
The XLogP value of 2.55409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-. Following Lipinski's Rule of Five, 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo- has 2 hydrogen bond donor(s) and 3 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 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-?
The CAS number of 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo- is 69830-31-5.
What is the molecular formula of 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-?
The molecular formula of 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo- is C13H11N3OS.
What is the molecular weight of 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-?
The molecular weight of 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo- is 257.06 g/mol.
Where can I buy 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-?
You can request a quote for 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazin-5(2h)-one,3,4-dihydro-6-(4-phenyl-1,3-butadien-1-yl)-3-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.