![Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- structure](/static/products/603/603947-19-9.png)
Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-
TL;DR: Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- (CAS 603947-19-9) is a chemical compound with molecular formula C14H13N5S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetonitrile
Also Known As: ACETONITRILE,[[8-(ISOPROPYL)-2H-1,2,4-TRIAZINO[5,6-B]INDOL-3-YL]THIO]-, 2-((8-isopropyl-2H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetonitrile, 2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetonitrile, Acetonitrile, [[8-(1-methylethyl)-2H-1,2,4-triazino[5,6-b]indol-3-yl]thio]- (9CI), N1-(2-(CYCLOHEXYLAMINO)-2-OXOETHYL)-N5-CYCLOPROPYL-N5-(5-METHYLISOXAZOL-3-YL)GLUTARAMIDE
| Molecular Formula | C14H13N5S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 3.24518 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08917 |
| Heavy Atoms | 20 |
| Complexity | 815.394 |
Chemical Identifiers
| CAS Number | 603947-19-9 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC#N |
Product Overview
Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- (CAS 603947-19-9), with molecular formula C14H13N5S and molecular weight 283.09 g/mol. IUPAC: 2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetonitrile.
Chemical Property Profile of Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-
Property Insights of Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-
The XLogP value of 3.24518 indicates that Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-. Following Lipinski's Rule of Five, Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- has 1 hydrogen bond donor(s) and 5 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 Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-?
The CAS number of Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- is 603947-19-9.
What is the molecular formula of Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-?
The molecular formula of Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- is C14H13N5S.
What is the molecular weight of Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-?
The molecular weight of Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- is 283.09 g/mol.
Where can I buy Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-?
You can request a quote for Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile,[[8-(isopropyl)-2H-1,2,4-triazino[5,6-B]indol-3-YL]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.