![5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one structure](/static/products/7082/708289-26-3.webp)
5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one
TL;DR: 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one (CAS 708289-26-3) is a chemical compound with molecular formula C15H13N5O5 and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-1,3-dimethylbenzimidazol-2-one
Also Known As: 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one, 5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-1,3-dimethyl-benzoimidazol-2-one, 5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-1,3-dimethylbenzimidazol-2-one
| Molecular Formula | C15H13N5O5 |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 0.7445 |
| Topological Polar Surface Area | 136.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.09167 |
| Heavy Atoms | 25 |
| Complexity | 1151.5541 |
Chemical Identifiers
| CAS Number | 708289-26-3 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O)N(C1=O)C |
Product Overview
5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one (CAS 708289-26-3), with molecular formula C15H13N5O5 and molecular weight 343.09 g/mol. IUPAC: 5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-1,3-dimethylbenzimidazol-2-one.
Chemical Property Profile of 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one
Property Insights of 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one
The XLogP value of 0.7445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one. The TPSA of 136.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one. Following Lipinski's Rule of Five, 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one has 2 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-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one?
The CAS number of 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one is 708289-26-3.
What is the molecular formula of 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one?
The molecular formula of 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one is C15H13N5O5.
What is the molecular weight of 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one?
The molecular weight of 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one is 343.09 g/mol.
Where can I buy 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one?
You can request a quote for 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-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 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(1,6-Dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.