2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate
TL;DR: 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate (CAS 445404-21-7) is a chemical compound with molecular formula C14H13ClN2O2 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethenylimidazol-2-yl)ethyl 4-chlorobenzoate
Also Known As: 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate, 2-(1-ethenylimidazol-2-yl)ethyl 4-chlorobenzoate, AM-814/41094643
| Molecular Formula | C14H13ClN2O2 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 3.0365 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.06656 |
| Heavy Atoms | 19 |
| Complexity | 575.38684 |
Chemical Identifiers
| CAS Number | 445404-21-7 |
|---|---|
| SMILES | C=CN1C=CN=C1CCOC(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate (CAS 445404-21-7), with molecular formula C14H13ClN2O2 and molecular weight 276.07 g/mol. IUPAC: 2-(1-ethenylimidazol-2-yl)ethyl 4-chlorobenzoate.
Chemical Property Profile of 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate
Property Insights of 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate
The XLogP value of 3.0365 indicates that 2-(1-vinyl-1H-imidazol-2-yl)ethyl 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, 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-vinyl-1H-imidazol-2-yl)ethyl 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 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate?
The CAS number of 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate is 445404-21-7.
What is the molecular formula of 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate?
The molecular formula of 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate is C14H13ClN2O2.
What is the molecular weight of 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate?
The molecular weight of 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate is 276.07 g/mol.
Where can I buy 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate?
You can request a quote for 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-vinyl-1H-imidazol-2-yl)ethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.