2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one
TL;DR: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one (CAS 309740-56-5) 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.
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one
Also Known As: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one, 2-benzimidazol-2-ylthio-1-(4-methoxyphenyl)propan-1-one, A2282/0096141, Propan-1-one, 2-(2-benzimidazolylthio)-1-(4-methoxyphenyl)-, 1-propanone, 2-(1h-benzimidazol-2-ylthio)-1-(4-methoxyphenyl)-
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 309740-56-5 |
|---|---|
| SMILES | CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3N2 |
| InChIKey | FXLJEMJLNALXQA-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one (CAS 309740-56-5), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one.
Chemical Property Profile of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one
Property Insights of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one
The XLogP value of 4.1 indicates that 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one has 1 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 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one?
The CAS number of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one is 309740-56-5.
What is the molecular formula of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one?
The molecular formula of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one is C17H16N2O2S.
What is the molecular weight of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one?
The molecular weight of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one is 312.09 g/mol.
Where can I buy 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one?
You can request a quote for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.