![2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole structure](/static/products/450/450353-99-8.png)
2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole
TL;DR: 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole (CAS 450353-99-8) is a chemical compound with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
Also Known As: 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole, 1-ethoxy-4-(2-imidazolin-2-ylthiomethyl)-2-nitrobenzene, 2-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole, 2-{[(4-ethoxy-3-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
| Molecular Formula | C12H15N3O3S |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.0834 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 450353-99-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-] |
| InChIKey | NIBKKVQFPVDZES-UHFFFAOYSA-N |
Product Overview
2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole (CAS 450353-99-8), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: 2-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole
Property Insights of 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole. Following Lipinski's Rule of Five, 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole 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-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole?
The CAS number of 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole is 450353-99-8.
What is the molecular formula of 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole?
The molecular formula of 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole is C12H15N3O3S.
What is the molecular weight of 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole?
The molecular weight of 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole is 281.08 g/mol.
Where can I buy 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole?
You can request a quote for 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.