(4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate
TL;DR: (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate (CAS 650592-33-9) is a chemical compound with molecular formula C11H7Cl2N3O4 and molecular weight 314.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dichloroimidazol-1-yl)methyl 4-nitrobenzoate
Also Known As: (4,5-dichloroimidazol-1-yl)methyl 4-nitrobenzoate, (4,5-dichloro-1H-imidazol-1-yl)methyl 4-nitrobenzoate
| Molecular Formula | C11H7Cl2N3O4 |
|---|---|
| Molecular Weight | 314.98 g/mol |
| LogP | 2.9126 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.98135 |
| Heavy Atoms | 20 |
| Complexity | 654.18787 |
Chemical Identifiers
| CAS Number | 650592-33-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCN2C=NC(=C2Cl)Cl)[N+](=O)[O-] |
Product Overview
(4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate (CAS 650592-33-9), with molecular formula C11H7Cl2N3O4 and molecular weight 314.98 g/mol. IUPAC: (4,5-dichloroimidazol-1-yl)methyl 4-nitrobenzoate.
Chemical Property Profile of (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate
Property Insights of (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate
The XLogP value of 2.9126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate has 0 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 (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate?
The CAS number of (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate is 650592-33-9.
What is the molecular formula of (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate?
The molecular formula of (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate is C11H7Cl2N3O4.
What is the molecular weight of (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate?
The molecular weight of (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate is 314.98 g/mol.
Where can I buy (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate?
You can request a quote for (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4,5-Dichloroimidazol-1-yl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.