3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide
TL;DR: 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide (CAS 125674-86-4) is a chemical compound with molecular formula C11H16BrN2O4P and molecular weight 350.0031 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid;hydrobromide
Also Known As: 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide, (3-(4-(Dimethylamino)phenyl)-4,5-dihydro-5-isoxazolyl)phosphonic acid monohydrobromide, Phosphonic acid, (3-(4-(dimethylamino)phenyl)-4,5-dihydro-5-isoxazolyl)-, monohydrobromide, [3-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid hydrobromide, {3-[4-(Dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}phosphonic acid--hydrogen bromide (1/1)
Technical Specifications
| Molecular Formula | C11H16BrN2O4P |
| Molecular Weight | 350.0031 g/mol |
| XLogP | 1.9587 |
| Topological Polar Surface Area (TPSA) | 82.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.0031 Da |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C2=NOC(C2)P(=O)(O)O.Br |
| InChIKey | DJTYTFIEYAEVOD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide
Property Insights of 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide
The XLogP value of 1.9587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide. Following Lipinski's Rule of Five, 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide?
The CAS number of 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide is 125674-86-4.
What is the molecular formula of 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide?
The molecular formula of 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide is C11H16BrN2O4P.
What is the molecular weight of 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide?
The molecular weight of 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide is 350.0031 g/mol.
Where can I buy 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide?
You can request a quote for 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide?
Yes, CoreyChem provides custom synthesis services for 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.