![2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide structure](/static/products/869/869346-95-2.png)
2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
TL;DR: 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide (CAS 869346-95-2) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
Also Known As: 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide, F1872-0850, 2-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazol-2-yl)thio)-N-phenethylacetamide, 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide, 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-phenethylacetamide
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.1111 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 943.0787 |
Chemical Identifiers
| CAS Number | 869346-95-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C=CN=C3SCC(=O)NCCC4=CC=CC=C4 |
Product Overview
2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide (CAS 869346-95-2), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Property Insights of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
The XLogP value of 3.1111 indicates that 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide. Following Lipinski's Rule of Five, 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide 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 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The CAS number of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide is 869346-95-2.
What is the molecular formula of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The molecular formula of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide is C21H21N3O3S.
What is the molecular weight of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The molecular weight of 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide is 395.13 g/mol.
Where can I buy 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
You can request a quote for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.