![isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/4428/442869-68-3.webp)
isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 442869-68-3) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: propan-2-yl 3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate, A2545/0108340, isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate, methylethyl 3-[2-(1-methylbenzimidazol-2-ylthio)acetylamino]benzoate, 3-[2-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetylamino]-benzoic acid isopropyl ester
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 442869-68-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C |
| InChIKey | NQYCSECXBAXJCQ-UHFFFAOYSA-N |
Product Overview
isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 442869-68-3), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: propan-2-yl 3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.8 indicates that isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)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 isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate is 442869-68-3.
What is the molecular formula of isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate is C20H21N3O3S.
What is the molecular weight of isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate is 383.13 g/mol.
Where can I buy isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 3-({[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.