![[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone structure](/static/products/1022/1022094-73-0.webp)
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone
TL;DR: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone (CAS 1022094-73-0) is a chemical compound with molecular formula C22H19Cl2F3N4O2 and molecular weight 498.08 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]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
Also Known As: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,4-diazepane, 3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl) ketone, 3-(2-chlorophenyl)-5-methylisoxazol-4-yl-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl) ketone, [3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone
| Molecular Formula | C22H19Cl2F3N4O2 |
|---|---|
| Molecular Weight | 498.08 g/mol |
| LogP | 5.72312 |
| Topological Polar Surface Area | 62.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.0837 |
| Heavy Atoms | 33 |
| Complexity | 1182.6879 |
Chemical Identifiers
| CAS Number | 1022094-73-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone (CAS 1022094-73-0), with molecular formula C22H19Cl2F3N4O2 and molecular weight 498.08 g/mol. IUPAC: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone.
Chemical Property Profile of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone
Property Insights of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone
The XLogP value of 5.72312 indicates that [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.47 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone. Following Lipinski's Rule of Five, [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone?
The CAS number of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone is 1022094-73-0.
What is the molecular formula of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone?
The molecular formula of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone is C22H19Cl2F3N4O2.
What is the molecular weight of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone?
The molecular weight of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone is 498.08 g/mol.
Where can I buy [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone?
You can request a quote for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-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-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.