![2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide structure](/static/products/7130/713097-01-9.webp)
2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
TL;DR: 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CAS 713097-01-9) is a chemical compound with molecular formula C21H16BrN7O2S2 and molecular weight 541.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-[(8-BROMO-5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL)SULFANYL]-N~1~-[5-(PHENOXYMETHYL)-1,3,4-THIADIAZOL-2-YL]ACETAMIDE
| Molecular Formula | C21H16BrN7O2S2 |
|---|---|
| Molecular Weight | 541.00 g/mol |
| LogP | 4.4403 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.999 |
| Heavy Atoms | 33 |
| Complexity | 1455.6001 |
Chemical Identifiers
| CAS Number | 713097-01-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCC(=O)NC4=NN=C(S4)COC5=CC=CC=C5 |
Product Overview
2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CAS 713097-01-9), with molecular formula C21H16BrN7O2S2 and molecular weight 541.00 g/mol. IUPAC: 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
Property Insights of 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
The XLogP value of 4.4403 indicates that 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide. Following Lipinski's Rule of Five, 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The CAS number of 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is 713097-01-9.
What is the molecular formula of 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The molecular formula of 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is C21H16BrN7O2S2.
What is the molecular weight of 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The molecular weight of 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is 541.00 g/mol.
Where can I buy 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
You can request a quote for 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.