methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate
TL;DR: methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate (CAS 483309-96-2) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: ASN 03017025, methyl 4-{2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate, F2223-0034, methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate, methyl 4-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.6045 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 936.8656 |
Chemical Identifiers
| CAS Number | 483309-96-2 |
|---|---|
| SMILES | CN1C(=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3 |
Product Overview
methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate (CAS 483309-96-2), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: methyl 4-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate
Property Insights of methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate
The XLogP value of 3.6045 indicates that methyl 4-(2-((1-methyl-5-phenyl-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 methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-((1-methyl-5-phenyl-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 methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
The CAS number of methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate is 483309-96-2.
What is the molecular formula of methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
The molecular formula of methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate is C20H19N3O3S.
What is the molecular weight of methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
The molecular weight of methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate is 381.11 g/mol.
Where can I buy methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
You can request a quote for methyl 4-(2-((1-methyl-5-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-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.