4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole
TL;DR: 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole (CAS 371122-28-0) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,5-dimethyl-1,2-oxazole
Also Known As: Isoxazole,4-[ methyl]-3,5-dimethyl-, 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole, 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,5-dimethyl-1,2-oxazole, Isoxazole, 4-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-3,5-dimethyl-
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 0.83564 |
| Topological Polar Surface Area | 50.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 321.12906 |
Chemical Identifiers
| CAS Number | 371122-28-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CC2=NCCN2 |
Product Overview
4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole (CAS 371122-28-0), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: 4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole
Property Insights of 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole
The XLogP value of 0.83564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole. With a topological polar surface area (TPSA) of 50.42 Ų, 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole has 1 hydrogen bond donor(s) and 4 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 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole?
The CAS number of 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole is 371122-28-0.
What is the molecular formula of 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole?
The molecular formula of 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole is C9H13N3O.
What is the molecular weight of 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole?
The molecular weight of 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole is 179.11 g/mol.
Where can I buy 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole?
You can request a quote for 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.