2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene
TL;DR: 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene (CAS 603946-05-0) is a chemical compound with molecular formula C14H16N4S and molecular weight 272.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazino[5,6-b]indole
Also Known As: BAS 06014185, VU0419379-1, 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene, 3-(isobutylthio)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole, 5-methyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazino[5,6-b]indole
| Molecular Formula | C14H16N4S |
|---|---|
| Molecular Weight | 272.11 g/mol |
| LogP | 3.2646 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.10956 |
| Heavy Atoms | 19 |
| Complexity | 732.7182 |
Chemical Identifiers
| CAS Number | 603946-05-0 |
|---|---|
| SMILES | CC(C)CSC1=NC2=C(C3=CC=CC=C3N2C)N=N1 |
Product Overview
2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene (CAS 603946-05-0), with molecular formula C14H16N4S and molecular weight 272.11 g/mol. IUPAC: 5-methyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene
Property Insights of 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene
The XLogP value of 3.2646 indicates that 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene has 0 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 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene?
The CAS number of 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene is 603946-05-0.
What is the molecular formula of 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene?
The molecular formula of 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene is C14H16N4S.
What is the molecular weight of 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene?
The molecular weight of 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene is 272.11 g/mol.
Where can I buy 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene?
You can request a quote for 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.