1-Benzyl-5-formyl-2-methylimidazole
TL;DR: 1-Benzyl-5-formyl-2-methylimidazole (CAS 39269-74-4) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-methylimidazole-4-carbaldehyde
Also Known As: 1-benzyl-2-methyl-1H-imidazole-5-carbaldehyde, Tegoprazan Impurity 5, Tegoprazan Impurity 7, Tegoprazan Impurity 26, 1-Benzyl-5-formyl-2-methylimidazole
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 39269-74-4 |
|---|---|
| SMILES | CC1=NC=C(N1CC2=CC=CC=C2)C=O |
| InChIKey | OYWXYRRKTGPYJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-5-formyl-2-methylimidazole (CAS 39269-74-4), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 3-benzyl-2-methylimidazole-4-carbaldehyde.
Chemical Property Profile of 1-Benzyl-5-formyl-2-methylimidazole
Property Insights of 1-Benzyl-5-formyl-2-methylimidazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-formyl-2-methylimidazole. With a topological polar surface area (TPSA) of 34.9 Ų, 1-Benzyl-5-formyl-2-methylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-formyl-2-methylimidazole has 0 hydrogen bond donor(s) and 2 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-Benzyl-5-formyl-2-methylimidazole?
The CAS number of 1-Benzyl-5-formyl-2-methylimidazole is 39269-74-4.
What is the molecular formula of 1-Benzyl-5-formyl-2-methylimidazole?
The molecular formula of 1-Benzyl-5-formyl-2-methylimidazole is C12H12N2O.
What is the molecular weight of 1-Benzyl-5-formyl-2-methylimidazole?
The molecular weight of 1-Benzyl-5-formyl-2-methylimidazole is 200.09 g/mol.
Where can I buy 1-Benzyl-5-formyl-2-methylimidazole?
You can request a quote for 1-Benzyl-5-formyl-2-methylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-5-formyl-2-methylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-formyl-2-methylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.