methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate
TL;DR: methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate (CAS 496846-39-0) is a chemical compound with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-pyridin-4-yl-3H-benzimidazole-5-carboxylate
Also Known As: methyl 2-pyridin-4-yl-3H-benzimidazole-5-carboxylate, AN-890/40809171, methyl 2-(pyridin-4-yl)-3H-benzo[d]imidazole-5-carboxylate, Methyl 2-pyridin-4-yl-3H-benzoimidazole-5-carboxylate, methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.4115 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 734.7907 |
Chemical Identifiers
| CAS Number | 496846-39-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=NC=C3 |
Product Overview
methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate (CAS 496846-39-0), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: methyl 2-pyridin-4-yl-3H-benzimidazole-5-carboxylate.
Chemical Property Profile of methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate
Property Insights of methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate
The XLogP value of 2.4115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate. Following Lipinski's Rule of Five, methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate has 1 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 methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate?
The CAS number of methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate is 496846-39-0.
What is the molecular formula of methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate?
The molecular formula of methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate is C14H11N3O2.
What is the molecular weight of methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate?
The molecular weight of methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate is 253.09 g/mol.
Where can I buy methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate?
You can request a quote for methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-pyridinyl)-1H-benzimidazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.