![3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole structure](/static/products/3092/309272-95-5.webp)
3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
TL;DR: 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole (CAS 309272-95-5) is a chemical compound with molecular formula C16H11ClN4S and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Also Known As: BAS 01127346, 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole, 4-Chlorobenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide, 3-((4-Chlorobenzyl)thio)-5H-[1,2,4]triazino[5,6-b]indole, 3-{[(4-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
| Molecular Formula | C16H11ClN4S |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 4.4518 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0393 |
| Heavy Atoms | 22 |
| Complexity | 949.3509 |
Chemical Identifiers
| CAS Number | 309272-95-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC4=CC=C(C=C4)Cl |
Product Overview
3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole (CAS 309272-95-5), with molecular formula C16H11ClN4S and molecular weight 326.04 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Property Insights of 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
The XLogP value of 4.4518 indicates that 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole 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 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
The CAS number of 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is 309272-95-5.
What is the molecular formula of 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is C16H11ClN4S.
What is the molecular weight of 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is 326.04 g/mol.
Where can I buy 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.