1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime
TL;DR: 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime (CAS 331677-08-8) is a chemical compound with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-(1-hydroxy-2-methyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
Also Known As: BAS 00459488, 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime, (4E)-4-(hydroxyimino)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-1-ol, (E)-1-hydroxy-2-methyl-6,7-dihydro-1H-benzo[d]imidazol-4(5H)-one oxime, (NE)-N-(1-hydroxy-2-methyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 0.94342 |
| Topological Polar Surface Area | 70.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 367.7112 |
Chemical Identifiers
| CAS Number | 331677-08-8 |
|---|---|
| SMILES | CC1=NC\2=C(N1O)CCC/C2=N\O |
Product Overview
1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime (CAS 331677-08-8), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: (NE)-N-(1-hydroxy-2-methyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine.
Chemical Property Profile of 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime
Property Insights of 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime
The XLogP value of 0.94342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime. The TPSA of 70.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime. Following Lipinski's Rule of Five, 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime 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 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime?
The CAS number of 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime is 331677-08-8.
What is the molecular formula of 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime?
The molecular formula of 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime is C8H11N3O2.
What is the molecular weight of 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime?
The molecular weight of 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime is 181.09 g/mol.
Where can I buy 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime?
You can request a quote for 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.