![6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one structure](/static/products/792/792939-72-1.png)
6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one
TL;DR: 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one (CAS 792939-72-1) is a chemical compound with molecular formula C20H20N6O7S and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
Also Known As: 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one, 1,3-dimethyl-5-nitro-6-[4-[(2-oxo-3H-benzooxazol-6-yl)sulfonyl]piperazin-1-yl]benzoimidazol-2-one, 6-((4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, 6-[4-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one, 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-1-piperazinyl]sulfonyl}-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C20H20N6O7S |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 0.7306 |
| Topological Polar Surface Area | 156.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.11142 |
| Heavy Atoms | 34 |
| Complexity | 1686.0266 |
Chemical Identifiers
| CAS Number | 792939-72-1 |
|---|---|
| SMILES | CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5 |
Product Overview
6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one (CAS 792939-72-1), with molecular formula C20H20N6O7S and molecular weight 488.11 g/mol. IUPAC: 6-[4-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one
Property Insights of 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one
The XLogP value of 0.7306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one. The TPSA of 156.69 Ų indicates high polarity, suggesting 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one has 1 hydrogen bond donor(s) and 8 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 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one?
The CAS number of 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one is 792939-72-1.
What is the molecular formula of 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one?
The molecular formula of 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one is C20H20N6O7S.
What is the molecular weight of 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one?
The molecular weight of 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one is 488.11 g/mol.
Where can I buy 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one?
You can request a quote for 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-{[4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.