1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile
TL;DR: 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile (CAS 34940-35-7) is a chemical compound with molecular formula C13H9N3O and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: starbld0001992, 3-Methyl-1-oxo-1,5-dihydro-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 3-Methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile, BAS 00073014
| Molecular Formula | C13H9N3O |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.07455 |
| Heavy Atoms | 17 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 34940-35-7 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N |
| InChIKey | ODPPIAGQLCIUJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile (CAS 34940-35-7), with molecular formula C13H9N3O and molecular weight 223.07 g/mol. IUPAC: 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile
Property Insights of 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile. With a topological polar surface area (TPSA) of 56.1 Ų, 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile 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 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile?
The CAS number of 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile is 34940-35-7.
What is the molecular formula of 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile?
The molecular formula of 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile is C13H9N3O.
What is the molecular weight of 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile?
The molecular weight of 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile is 223.07 g/mol.
Where can I buy 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile?
You can request a quote for 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.