5-acetamido-benzimidazoline-2-thione
TL;DR: 5-acetamido-benzimidazoline-2-thione (CAS 844451-99-6) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dimethylphenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
Also Known As: 5-acetamido-benzimidazoline-2-thione, 1-((2,4-dimethylphenyl)sulfonyl)-3-((tetrahydrofuran-2-yl)methyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline, 1-(2,4-dimethylbenzenesulfonyl)-3-[(oxolan-2-yl)methyl]-1H,2H,3H-imidazo[4,5-b]quinoxaline, 3-(2,4-dimethylphenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline, 1-[(2,4-dimethylphenyl)sulfonyl]-3-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 3.39844 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 1222.2798 |
Chemical Identifiers
| CAS Number | 844451-99-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)N2CN(C3=NC4=CC=CC=C4N=C32)CC5CCCO5)C |
Product Overview
5-acetamido-benzimidazoline-2-thione (CAS 844451-99-6), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: 3-(2,4-dimethylphenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline.
Chemical Property Profile of 5-acetamido-benzimidazoline-2-thione
Property Insights of 5-acetamido-benzimidazoline-2-thione
The XLogP value of 3.39844 indicates that 5-acetamido-benzimidazoline-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetamido-benzimidazoline-2-thione. Following Lipinski's Rule of Five, 5-acetamido-benzimidazoline-2-thione has 0 hydrogen bond donor(s) and 6 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 5-acetamido-benzimidazoline-2-thione?
The CAS number of 5-acetamido-benzimidazoline-2-thione is 844451-99-6.
What is the molecular formula of 5-acetamido-benzimidazoline-2-thione?
The molecular formula of 5-acetamido-benzimidazoline-2-thione is C22H24N4O3S.
What is the molecular weight of 5-acetamido-benzimidazoline-2-thione?
The molecular weight of 5-acetamido-benzimidazoline-2-thione is 424.16 g/mol.
Where can I buy 5-acetamido-benzimidazoline-2-thione?
You can request a quote for 5-acetamido-benzimidazoline-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetamido-benzimidazoline-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-acetamido-benzimidazoline-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.