![4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester structure](/static/products/4775/477585-16-3.webp)
4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester
TL;DR: 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester (CAS 477585-16-3) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoate
Also Known As: methyl 4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoate, Methyl 4-[(2-methylsulfanylbenzoimidazol-1-yl)methyl]benzoate, 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.5931 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 809.1419 |
Chemical Identifiers
| CAS Number | 477585-16-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SC |
Product Overview
4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester (CAS 477585-16-3), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: methyl 4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]benzoate.
Chemical Property Profile of 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester
Property Insights of 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester
The XLogP value of 3.5931 indicates that 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester has 0 hydrogen bond donor(s) and 4 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 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester?
The CAS number of 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester is 477585-16-3.
What is the molecular formula of 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester?
The molecular formula of 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester is C17H16N2O2S.
What is the molecular weight of 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester?
The molecular weight of 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester is 312.09 g/mol.
Where can I buy 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester?
You can request a quote for 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(Methylthio)-1H-benzimidazol-1-yl]methyl]benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.