ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate
TL;DR: ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate (CAS 497245-33-7) is a chemical compound with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate
Also Known As: ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate, ethyl 2-(1H-benzo[d]imidazol-2-yl)-3-(4-chlorophenyl)propanoate
| Molecular Formula | C18H17ClN2O2 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 4.1057 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.09787 |
| Heavy Atoms | 23 |
| Complexity | 778.25946 |
Chemical Identifiers
| CAS Number | 497245-33-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)Cl)C2=NC3=CC=CC=C3N2 |
Product Overview
ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate (CAS 497245-33-7), with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol. IUPAC: ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate.
Chemical Property Profile of ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate
Property Insights of ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate
The XLogP value of 4.1057 indicates that ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate 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 ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate?
The CAS number of ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate is 497245-33-7.
What is the molecular formula of ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate?
The molecular formula of ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate is C18H17ClN2O2.
What is the molecular weight of ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate?
The molecular weight of ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate is 328.10 g/mol.
Where can I buy ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate?
You can request a quote for ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.