(1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate
TL;DR: (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate (CAS 866131-15-9) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylimidazol-4-yl)methyl 4-chlorobenzoate
Also Known As: (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzoate, (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate, (3-methylimidazol-4-yl)methyl 4-chlorobenzoate, (1-methyl-1H-imidazol-5-yl)methyl4-chlorobenzoate
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.4305 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 519.5568 |
Chemical Identifiers
| CAS Number | 866131-15-9 |
|---|---|
| SMILES | CN1C=NC=C1COC(=O)C2=CC=C(C=C2)Cl |
Product Overview
(1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate (CAS 866131-15-9), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: (3-methylimidazol-4-yl)methyl 4-chlorobenzoate.
Chemical Property Profile of (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate
Property Insights of (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate
The XLogP value of 2.4305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate 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 (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate?
The CAS number of (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate is 866131-15-9.
What is the molecular formula of (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate?
The molecular formula of (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate is C12H11ClN2O2.
What is the molecular weight of (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate?
The molecular weight of (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate is 250.05 g/mol.
Where can I buy (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate?
You can request a quote for (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1-methyl-1H-imidazol-5-yl)methyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.