1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime
TL;DR: 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime (CAS 3013-07-8) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
Also Known As: TimTec1_004874, 1-methyl-2-formylbenzimidazole oxime, 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime, 1H-Benzimidazole-2-carboxaldehyde,1-methyl-, oxime, 1H-Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime (9CI)
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 3013-07-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C=NO |
| InChIKey | STCMGNHRWNCRBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime (CAS 3013-07-8), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine.
Chemical Property Profile of 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime
Property Insights of 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime. With a topological polar surface area (TPSA) of 50.4 Ų, 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime has 1 hydrogen bond donor(s) and 3 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-Methyl-1H-benzoimidazole-2-carbaldehyde oxime?
The CAS number of 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime is 3013-07-8.
What is the molecular formula of 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime?
The molecular formula of 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime is C9H9N3O.
What is the molecular weight of 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime?
The molecular weight of 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime is 175.07 g/mol.
Where can I buy 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime?
You can request a quote for 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1H-benzoimidazole-2-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.