8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione
TL;DR: 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione (CAS 23563-33-9) is a chemical compound with molecular formula C10H7BrN4S and molecular weight 293.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: 8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, Essigsaeure-(4-butoxy-anilid), CHEMBRDG-BB 5921951, 8-bromo-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione, BAS 00230948
| Molecular Formula | C10H7BrN4S |
|---|---|
| Molecular Weight | 293.96 g/mol |
| LogP | 2.94159 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 293.9575 |
| Heavy Atoms | 16 |
| Complexity | 758.4304 |
Chemical Identifiers
| CAS Number | 23563-33-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)C3=NNC(=S)N=C31 |
Product Overview
8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione (CAS 23563-33-9), with molecular formula C10H7BrN4S and molecular weight 293.96 g/mol. IUPAC: 8-bromo-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione
Property Insights of 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione
The XLogP value of 2.94159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione. With a topological polar surface area (TPSA) of 46.5 Ų, 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione has 1 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 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione?
The CAS number of 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione is 23563-33-9.
What is the molecular formula of 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione?
The molecular formula of 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione is C10H7BrN4S.
What is the molecular weight of 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione?
The molecular weight of 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione is 293.96 g/mol.
Where can I buy 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione?
You can request a quote for 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-5-methyl-5H-1,2,4-triazino(5,6-B)indole-3(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.