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 350.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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)
| Molecular Formula | C11H16BrN2O4P |
|---|---|
| Molecular Weight | 350.00 g/mol |
| LogP | 1.9587 |
| Topological Polar Surface Area | 82.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.0031 |
| Heavy Atoms | 19 |
| Complexity | 511.9314 |
Chemical Identifiers
| CAS Number | 125674-86-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NOC(C2)P(=O)(O)O.Br |
Product Overview
3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide (CAS 125674-86-4), with molecular formula C11H16BrN2O4P and molecular weight 350.00 g/mol. IUPAC: [3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid;hydrobromide.
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 82.36 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 2 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 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 350.00 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Dimethylaminophenyl)-2-isoxazolin-5-ylphosphonic acid hydrobromide?
Yes, KEHONG BIO 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.