![methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate structure](/static/products/1795/17954-23-3.webp)
methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate
TL;DR: methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate (CAS 17954-23-3) is a chemical compound with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethylimidazol-4-yl]propanoate
Also Known As: methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate, Methyl 2-(1,2-dimethyl-5-(3,5-methylphenylthio)-1H-imidazol-4-yl)propionate, methyl 2-[1,2-dimethyl-5-(3,5-dimethylphenylthio)-1H-imidazol-4-yl]propionate, Methyl 2-[1,2-dimethyl-5-(3,5-methylphenylthio)-1H-imidazol-4-yl]propionate, methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethyl-imidazol-4-yl]propanoate
| Molecular Formula | C17H22N2O2S |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.1402 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 17954-23-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SC2=C(N=C(N2C)C)C(C)C(=O)OC)C |
| InChIKey | FXZJHAZJCMRJJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate (CAS 17954-23-3), with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol. IUPAC: methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethylimidazol-4-yl]propanoate.
Chemical Property Profile of methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate
Property Insights of methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate
The XLogP value of 3.9 indicates that methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate. Following Lipinski's Rule of Five, methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate 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 methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate?
The CAS number of methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate is 17954-23-3.
What is the molecular formula of methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate?
The molecular formula of methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate is C17H22N2O2S.
What is the molecular weight of methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate?
The molecular weight of methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate is 318.14 g/mol.
Where can I buy methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate?
You can request a quote for methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.