![1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one structure](/static/products/442/442653-37-4.png)
1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one
TL;DR: 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS 442653-37-4) is a chemical compound with molecular formula C22H22N6OS and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one
Also Known As: 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one, 3-[3-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one, 1-[3-({5-PROPYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)PROPYL]-3H-1,3-BENZODIAZOL-2-ONE, 1-[3-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)propyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
| Molecular Formula | C22H22N6OS |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 4.2149 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1576 |
| Heavy Atoms | 30 |
| Complexity | 1399.5883 |
Chemical Identifiers
| CAS Number | 442653-37-4 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCCN4C5=CC=CC=C5NC4=O |
Product Overview
1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS 442653-37-4), with molecular formula C22H22N6OS and molecular weight 418.16 g/mol. IUPAC: 3-[3-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one.
Chemical Property Profile of 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one
Property Insights of 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one
The XLogP value of 4.2149 indicates that 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one. Following Lipinski's Rule of Five, 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one 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 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one?
The CAS number of 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one is 442653-37-4.
What is the molecular formula of 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one?
The molecular formula of 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one is C22H22N6OS.
What is the molecular weight of 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one?
The molecular weight of 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one is 418.16 g/mol.
Where can I buy 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one?
You can request a quote for 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.