(4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate
TL;DR: (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate (CAS 650592-20-4) is a chemical compound with molecular formula C11H7Cl3N2O2 and molecular weight 303.96 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-chlorobenzoate
Also Known As: (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate, (4,5-dichloroimidazol-1-yl)methyl 4-chlorobenzoate, Benzoic acid, 4-chloro-, (4,5-dichloro-1H-imidazol-1-yl)methyl ester
| Molecular Formula | C11H7Cl3N2O2 |
|---|---|
| Molecular Weight | 303.96 g/mol |
| LogP | 3.6578 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.9573 |
| Heavy Atoms | 18 |
| Complexity | 566.16736 |
Chemical Identifiers
| CAS Number | 650592-20-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCN2C=NC(=C2Cl)Cl)Cl |
Product Overview
(4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate (CAS 650592-20-4), with molecular formula C11H7Cl3N2O2 and molecular weight 303.96 g/mol. IUPAC: (4,5-dichloroimidazol-1-yl)methyl 4-chlorobenzoate.
Chemical Property Profile of (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate
Property Insights of (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate
The XLogP value of 3.6578 indicates that (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate 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 (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate?
The CAS number of (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate is 650592-20-4.
What is the molecular formula of (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate?
The molecular formula of (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate is C11H7Cl3N2O2.
What is the molecular weight of (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate?
The molecular weight of (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate is 303.96 g/mol.
Where can I buy (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate?
You can request a quote for (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4,5-dichloro-1H-imidazol-1-yl)methyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.