1H-benzimidazol-2-ylmethyl 4-nitrobenzoate
TL;DR: 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate (CAS 6381-66-4) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzimidazol-2-ylmethyl 4-nitrobenzoate
Also Known As: 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate, 1H-benzoimidazol-2-ylmethyl 4-nitrobenzoate, (1H-Benzimidazol-2-yl)methyl 4-nitrobenzoate, (1H-1,3-Benzimidazol-2-yl)methyl 4-nitrobenzoate, (1H-1,3-BENZODIAZOL-2-YL)METHYL 4-NITROBENZOATE
| Molecular Formula | C15H11N3O4 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.8281 |
| Topological Polar Surface Area | 98.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.07495 |
| Heavy Atoms | 22 |
| Complexity | 806.37463 |
Chemical Identifiers
| CAS Number | 6381-66-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1H-benzimidazol-2-ylmethyl 4-nitrobenzoate (CAS 6381-66-4), with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol. IUPAC: 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate.
Chemical Property Profile of 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate
Property Insights of 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate
The XLogP value of 2.8281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate. The TPSA of 98.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate?
The CAS number of 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate is 6381-66-4.
What is the molecular formula of 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate?
The molecular formula of 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate is C15H11N3O4.
What is the molecular weight of 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate?
The molecular weight of 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate is 297.07 g/mol.
Where can I buy 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate?
You can request a quote for 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.