9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-
TL;DR: 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- (CAS 333326-29-7) is a chemical compound with molecular formula C17H14N4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Also Known As: BAS 02233011, 2-Phenethylsulfanyl-9H-1,3,4,9-tetraaza-fluorene, 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-, 3-(2-phenylethylthio)-1,2,4-triazino[5,6-b]indole, 3-(phenethylthio)-5H-[1,2,4]triazino[5,6-b]indole
| Molecular Formula | C17H14N4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.8409 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0939 |
| Heavy Atoms | 22 |
| Complexity | 917.6606 |
Chemical Identifiers
| CAS Number | 333326-29-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCSC2=NC3=C(C4=CC=CC=C4N3)N=N2 |
Product Overview
9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- (CAS 333326-29-7), with molecular formula C17H14N4S and molecular weight 306.09 g/mol. IUPAC: 3-(2-phenylethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-
Property Insights of 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-
The XLogP value of 3.8409 indicates that 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- has 1 hydrogen bond donor(s) and 4 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 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-?
The CAS number of 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- is 333326-29-7.
What is the molecular formula of 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-?
The molecular formula of 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- is C17H14N4S.
What is the molecular weight of 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-?
The molecular weight of 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- is 306.09 g/mol.
Where can I buy 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-?
You can request a quote for 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl-?
Yes, KEHONG BIO provides custom synthesis services for 9H-1,3,4,9-Tetraazafluorene, 2-phenethylsulfanyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.