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1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 121105-78-0) is a chemical compound with molecular formula C13H8ClN3 and molecular weight 241.04068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: ETHYL3-BUTENOATE, 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-Chloro-3-methyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, BAS 08138737
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H8ClN3 |
| Molecular Weight | 241.04068 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.04068 Da |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)Cl)C#N |
| InChIKey | AKFXQYMORAUSBD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 4.2 indicates that 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile 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
What is the CAS number of 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 121105-78-0.
What is the molecular formula of 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is C13H8ClN3.
What is the molecular weight of 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 241.04068 g/mol.
Where can I buy 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.