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2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole
TL;DR: 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole (CAS 7291-96-5) 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.
2-[(4-nitrophenyl)methyl]-1H-benzimidazole
Also Known As: 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole, 2-(4-nitrobenzyl)-1H-benzimidazole, 2-(4-Nitrobenzyl)-1H-benzo[d]imidazole, 2-[(4-nitrophenyl)methyl]-1H-benzimidazole, BAS 00347537
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 7291-96-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | GDPNXLZOMJULAA-UHFFFAOYSA-N |
Product Overview
2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole (CAS 7291-96-5), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: 2-[(4-nitrophenyl)methyl]-1H-benzimidazole.
Chemical Property Profile of 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole
Property Insights of 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole
The XLogP value of 3.1 indicates that 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole 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 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole?
The CAS number of 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole is 7291-96-5.
What is the molecular formula of 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole?
The molecular formula of 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole is C14H11N3O2.
What is the molecular weight of 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole?
The molecular weight of 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole is 253.09 g/mol.
Where can I buy 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole?
You can request a quote for 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-nitrophenyl)methyl]-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.