(4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide
TL;DR: (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide (CAS 300587-96-6) is a chemical compound with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-hydroxy-2-methyl-7-nitroso-1-oxidobenzimidazol-1-ium-4-yl)hydroxylamine
Also Known As: AB00076880-01, 1-Hydroxy-2-methyl-1H-benzimidazole-4,7-dione dioxime 3-oxide, (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide, N-(3-hydroxy-2-methyl-7-nitroso-1-oxidobenzimidazol-1-ium-4-yl)hydroxylamine, (4E,7E)-1-hydroxy-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzo[d]imidazole 3-oxide
| Molecular Formula | C8H8N4O4 |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 1.01942 |
| Topological Polar Surface Area | 113.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.05455 |
| Heavy Atoms | 16 |
| Complexity | 577.15735 |
Chemical Identifiers
| CAS Number | 300587-96-6 |
|---|---|
| SMILES | CC1=[N+](C2=C(C=CC(=C2N1O)NO)N=O)[O-] |
Product Overview
(4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide (CAS 300587-96-6), with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol. IUPAC: N-(3-hydroxy-2-methyl-7-nitroso-1-oxidobenzimidazol-1-ium-4-yl)hydroxylamine.
Chemical Property Profile of (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide
Property Insights of (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide
The XLogP value of 1.01942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide. The TPSA of 113.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide. Following Lipinski's Rule of Five, (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide has 3 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 (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide?
The CAS number of (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide is 300587-96-6.
What is the molecular formula of (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide?
The molecular formula of (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide is C8H8N4O4.
What is the molecular weight of (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide?
The molecular weight of (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide is 224.05 g/mol.
Where can I buy (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide?
You can request a quote for (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for (4E,7E)-4,7-bis(hydroxyimino)-2-methyl-4,7-dihydro-1H-benzimidazol-1-ol 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.