(3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
TL;DR: (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851802-28-3) is a chemical compound with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-diethoxyphenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, (3,4-diethoxyphenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone, F0630-0764, 1-(3,4-diethoxybenzoyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
| Molecular Formula | C21H23N3O5S |
|---|---|
| Molecular Weight | 429.14 g/mol |
| LogP | 4.1374 |
| Topological Polar Surface Area | 94.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.13583 |
| Heavy Atoms | 30 |
| Complexity | 946.1581 |
Chemical Identifiers
| CAS Number | 851802-28-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])OCC |
Product Overview
(3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851802-28-3), with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol. IUPAC: (3,4-diethoxyphenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
Property Insights of (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
The XLogP value of 4.1374 indicates that (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone. Following Lipinski's Rule of Five, (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone has 0 hydrogen bond donor(s) and 7 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 (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The CAS number of (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is 851802-28-3.
What is the molecular formula of (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The molecular formula of (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is C21H23N3O5S.
What is the molecular weight of (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The molecular weight of (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is 429.14 g/mol.
Where can I buy (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
You can request a quote for (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,4-diethoxyphenyl)(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.