Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate
TL;DR: Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate (CAS 332101-63-0) is a chemical compound with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 01118103, Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate, 4-[2-(4-Phenyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzoic acid methyl ester, Methyl4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate, methyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C19H17N3O3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 3.5941 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.09906 |
| Heavy Atoms | 26 |
| Complexity | 891.90753 |
Chemical Identifiers
| CAS Number | 332101-63-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2)C3=CC=CC=C3 |
Product Overview
Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate (CAS 332101-63-0), with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol. IUPAC: methyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate
Property Insights of Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate
The XLogP value of 3.5941 indicates that Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate has 2 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 Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
The CAS number of Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate is 332101-63-0.
What is the molecular formula of Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
The molecular formula of Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate is C19H17N3O3S.
What is the molecular weight of Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
The molecular weight of Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate is 367.10 g/mol.
Where can I buy Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
You can request a quote for Methyl 4-(2-((4-phenyl-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 Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-((4-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.