Methyl 4-(benzimidazol-1-yl)benzoate
TL;DR: Methyl 4-(benzimidazol-1-yl)benzoate (CAS 220495-53-4) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(benzimidazol-1-yl)benzoate
Also Known As: 1-Phenylbenzimidazole deriv. 43, methyl 4-(benzimidazol-1-yl)benzoate, methyl 4-(1H-1,3-benzodiazol-1-yl)benzoate, methyl 4-(1H-benzimidazol-1-yl)benzoate, J2.044.632C
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.8121 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 729.2452 |
Chemical Identifiers
| CAS Number | 220495-53-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C=NC3=CC=CC=C32 |
Product Overview
Methyl 4-(benzimidazol-1-yl)benzoate (CAS 220495-53-4), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: methyl 4-(benzimidazol-1-yl)benzoate.
Chemical Property Profile of Methyl 4-(benzimidazol-1-yl)benzoate
Property Insights of Methyl 4-(benzimidazol-1-yl)benzoate
The XLogP value of 2.8121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(benzimidazol-1-yl)benzoate. With a topological polar surface area (TPSA) of 44.12 Ų, Methyl 4-(benzimidazol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(benzimidazol-1-yl)benzoate has 0 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 Methyl 4-(benzimidazol-1-yl)benzoate?
The CAS number of Methyl 4-(benzimidazol-1-yl)benzoate is 220495-53-4.
What is the molecular formula of Methyl 4-(benzimidazol-1-yl)benzoate?
The molecular formula of Methyl 4-(benzimidazol-1-yl)benzoate is C15H12N2O2.
What is the molecular weight of Methyl 4-(benzimidazol-1-yl)benzoate?
The molecular weight of Methyl 4-(benzimidazol-1-yl)benzoate is 252.09 g/mol.
Where can I buy Methyl 4-(benzimidazol-1-yl)benzoate?
You can request a quote for Methyl 4-(benzimidazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(benzimidazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(benzimidazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.