ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate
TL;DR: ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate (CAS 1024290-63-8) is a chemical compound with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate
Also Known As: ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate, Ethyl 3-(6-chloro-1H-benzoimidazol-2-yl)benzoate, 3-(5-chloro-1h-benzimidazol-2-yl)benzoic acid ethyl ester
| Molecular Formula | C16H13ClN2O2 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 4.06 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.06656 |
| Heavy Atoms | 21 |
| Complexity | 810.8971 |
Chemical Identifiers
| CAS Number | 1024290-63-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)Cl |
Product Overview
ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate (CAS 1024290-63-8), with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol. IUPAC: ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate.
Chemical Property Profile of ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate
Property Insights of ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate
The XLogP value of 4.06 indicates that ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate 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 3-(6-chloro-1H-benzimidazol-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate 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 3-(6-chloro-1H-benzimidazol-2-yl)benzoate?
The CAS number of ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate is 1024290-63-8.
What is the molecular formula of ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate?
The molecular formula of ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate is C16H13ClN2O2.
What is the molecular weight of ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate?
The molecular weight of ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate is 300.07 g/mol.
Where can I buy ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate?
You can request a quote for ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(6-chloro-1H-benzimidazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.