2-Benzhydryl-3,5-dimethylisoxazol-2-ium
TL;DR: 2-Benzhydryl-3,5-dimethylisoxazol-2-ium (CAS 47044-08-6) is a chemical compound with molecular formula C18H18NO+ and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzhydryl-3,5-dimethyl-1,2-oxazol-2-ium
Also Known As: 2-benzhydryl-3,5-dimethylisoxazol-2-ium, 2-benzhydryl-3,5-dimethyl-1,2-oxazol-2-ium, AR-360/42760705
| Molecular Formula | C18H18NO+ |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 3.82164 |
| Topological Polar Surface Area | 17.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.13882 |
| Heavy Atoms | 20 |
| Complexity | 646.4522 |
Chemical Identifiers
| CAS Number | 47044-08-6 |
|---|---|
| SMILES | CC1=CC(=[N+](O1)C(C2=CC=CC=C2)C3=CC=CC=C3)C |
Product Overview
2-Benzhydryl-3,5-dimethylisoxazol-2-ium (CAS 47044-08-6), with molecular formula C18H18NO+ and molecular weight 264.14 g/mol. IUPAC: 2-benzhydryl-3,5-dimethyl-1,2-oxazol-2-ium.
Chemical Property Profile of 2-Benzhydryl-3,5-dimethylisoxazol-2-ium
Property Insights of 2-Benzhydryl-3,5-dimethylisoxazol-2-ium
The XLogP value of 3.82164 indicates that 2-Benzhydryl-3,5-dimethylisoxazol-2-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.02 Ų, 2-Benzhydryl-3,5-dimethylisoxazol-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzhydryl-3,5-dimethylisoxazol-2-ium has 0 hydrogen bond donor(s) and 1 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 2-Benzhydryl-3,5-dimethylisoxazol-2-ium?
The CAS number of 2-Benzhydryl-3,5-dimethylisoxazol-2-ium is 47044-08-6.
What is the molecular formula of 2-Benzhydryl-3,5-dimethylisoxazol-2-ium?
The molecular formula of 2-Benzhydryl-3,5-dimethylisoxazol-2-ium is C18H18NO+.
What is the molecular weight of 2-Benzhydryl-3,5-dimethylisoxazol-2-ium?
The molecular weight of 2-Benzhydryl-3,5-dimethylisoxazol-2-ium is 264.14 g/mol.
Where can I buy 2-Benzhydryl-3,5-dimethylisoxazol-2-ium?
You can request a quote for 2-Benzhydryl-3,5-dimethylisoxazol-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzhydryl-3,5-dimethylisoxazol-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzhydryl-3,5-dimethylisoxazol-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.