![3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid structure](/static/products/6944/694479-55-5.webp)
3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid
TL;DR: 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid (CAS 694479-55-5) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid
Also Known As: CBKinase1_004424, CBKinase1_016824, BRD-K80834964-001-01-2, 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid, 3-((5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)propanoic acid
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.9563 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 830.88196 |
Chemical Identifiers
| CAS Number | 694479-55-5 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCC(=O)O |
Product Overview
3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid (CAS 694479-55-5), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: 3-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid
Property Insights of 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid
The XLogP value of 2.9563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid 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 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid?
The CAS number of 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid is 694479-55-5.
What is the molecular formula of 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid?
The molecular formula of 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid is C15H16N4O2S.
What is the molecular weight of 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid?
The molecular weight of 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid is 316.10 g/mol.
Where can I buy 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid?
You can request a quote for 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.