(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
TL;DR: (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851807-92-6) is a chemical compound with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
Also Known As: (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone, 3-[({1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)methyl]pyridine, 3-{[(1-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}-4,5-dihydro-1H-imidazol-2-yl)thio]methyl}pyridine
| Molecular Formula | C20H17ClN4O2S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.44362 |
| Topological Polar Surface Area | 71.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.07608 |
| Heavy Atoms | 28 |
| Complexity | 1035.6948 |
Chemical Identifiers
| CAS Number | 851807-92-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN=C3SCC4=CN=CC=C4 |
Product Overview
(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851807-92-6), with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol. IUPAC: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
Property Insights of (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
The XLogP value of 4.44362 indicates that (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)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 71.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone. Following Lipinski's Rule of Five, (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone has 0 hydrogen bond donor(s) and 6 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-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The CAS number of (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is 851807-92-6.
What is the molecular formula of (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The molecular formula of (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is C20H17ClN4O2S.
What is the molecular weight of (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The molecular weight of (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is 412.08 g/mol.
Where can I buy (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
You can request a quote for (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)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-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.