![3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone structure](/static/products/5869/586986-38-1.webp)
3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone
TL;DR: 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone (CAS 586986-38-1) is a chemical compound with molecular formula C16H12N4OS and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylmethylsulfanyl)-1H-quinoxalin-2-one
Also Known As: 3-(benzimidazol-2-ylmethylthio)quinoxalin-2-ol, 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1H-quinoxalin-2-one, 3-{[(1H-Benzimidazol-2-yl)methyl]sulfanyl}quinoxalin-2(1H)-one
| Molecular Formula | C16H12N4OS |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.0917 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.07318 |
| Heavy Atoms | 22 |
| Complexity | 988.1939 |
Chemical Identifiers
| CAS Number | 586986-38-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=CC=CC=C4NC3=O |
Product Overview
3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone (CAS 586986-38-1), with molecular formula C16H12N4OS and molecular weight 308.07 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1H-quinoxalin-2-one.
Chemical Property Profile of 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone
Property Insights of 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone
The XLogP value of 3.0917 indicates that 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone. Following Lipinski's Rule of Five, 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone has 2 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-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone?
The CAS number of 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone is 586986-38-1.
What is the molecular formula of 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone?
The molecular formula of 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone is C16H12N4OS.
What is the molecular weight of 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone?
The molecular weight of 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone is 308.07 g/mol.
Where can I buy 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone?
You can request a quote for 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1H-Benzimidazol-2-ylmethyl)thio]-2(1H)-quinoxalinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.