ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate (CAS 851131-46-9) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: ChemDiv3_008464, IDI1_026374, AB00684561-01, BRD-K05535505-001-01-3, ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 4.39664 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 1012.3969 |
Chemical Identifiers
| CAS Number | 851131-46-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3C)C |
Product Overview
ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate (CAS 851131-46-9), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: ethyl 4-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate
The XLogP value of 4.39664 indicates that ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate has 1 hydrogen bond donor(s) and 5 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 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate is 851131-46-9.
What is the molecular formula of ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate is C22H23N3O3S.
What is the molecular weight of ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate is 409.15 g/mol.
Where can I buy ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.