3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine
TL;DR: 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine (CAS 113614-56-5) is a chemical compound with molecular formula C21H22ClN3O and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
Also Known As: 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine, (3S,5S)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(p-tolyl)isoxazolidine, 3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine, (3S,5S)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine, (3S,5S)-3-(4-Chlorophenyl)-3-[(1H-imidazol-1-yl)methyl]-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
| Molecular Formula | C21H22ClN3O |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 30.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.14514 |
| Heavy Atoms | 26 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 113614-56-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@@H]2C[C@@](N(O2)C)(CN3C=CN=C3)C4=CC=C(C=C4)Cl |
| InChIKey | PVSGWGTXWGYMKX-LEWJYISDSA-N |
Product Overview
3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine (CAS 113614-56-5), with molecular formula C21H22ClN3O and molecular weight 367.15 g/mol. IUPAC: (3S,5S)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine.
Chemical Property Profile of 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine
Property Insights of 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine
The XLogP value of 4.0 indicates that 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine 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)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine 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)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine?
The CAS number of 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine is 113614-56-5.
What is the molecular formula of 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine?
The molecular formula of 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine is C21H22ClN3O.
What is the molecular weight of 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine?
The molecular weight of 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine is 367.15 g/mol.
Where can I buy 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine?
You can request a quote for 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine 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)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)isoxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.