3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine
TL;DR: 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine (CAS 113614-55-4) is a chemical compound with molecular formula C20H18Cl3N3O and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R)-3-(4-chlorophenyl)-5-(2,6-dichlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
Also Known As: 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine, 3-(4-Chloro-phenyl)-5-(2,6-dichloro-phenyl)-3-imidazol-1-ylmethyl-2-methyl-isoxazolidine, (3S,5R)-3-(4-chlorophenyl)-5-(2,6-dichlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine, (3S,5R)-3-(4-chlorophenyl)-5-(2,6-dichlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine
| Molecular Formula | C20H18Cl3N3O |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 30.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.05154 |
| Heavy Atoms | 27 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 113614-55-4 |
|---|---|
| SMILES | CN1[C@](C[C@@H](O1)C2=C(C=CC=C2Cl)Cl)(CN3C=CN=C3)C4=CC=C(C=C4)Cl |
| InChIKey | DLWGYWVYKHEBNZ-UYAOXDASSA-N |
Product Overview
3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine (CAS 113614-55-4), with molecular formula C20H18Cl3N3O and molecular weight 421.05 g/mol. IUPAC: (3S,5R)-3-(4-chlorophenyl)-5-(2,6-dichlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine
Property Insights of 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine
The XLogP value of 4.9 indicates that 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.3 Ų, 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine has 0 hydrogen bond donor(s) and 3 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-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine?
The CAS number of 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine is 113614-55-4.
What is the molecular formula of 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine?
The molecular formula of 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine is C20H18Cl3N3O.
What is the molecular weight of 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine?
The molecular weight of 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine is 421.05 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine?
You can request a quote for 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-(2,6-dichlorophenyl)-3-imidazol-1-ylmethyl-2-methylisoxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.