2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate
TL;DR: 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate (CAS 19420-42-9) is a chemical compound with molecular formula C19H18F3N5O9 and molecular weight 517.10565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[3-[2-oxo-5-(trifluoromethyl)-1,3-benzoxazol-3-yl]propyl]azanium;2,4,6-trinitrophenolate
Also Known As: 3-(3-(Dimethylamino)propyl)-5-(trifluoromethyl)-2-benzoxazolinone picrate, 2-BENZOXAZOLINONE, 3-(3-(DIMETHYLAMINO)PROPYL)-5-(TRIFLUOROMETHYL)-, MONOPICRATE, dimethyl-[3-[2-oxo-5-(trifluoromethyl)-1,3-benzoxazol-3-yl]propyl]azanium; 2,4,6-trinitrophenolate, N,N-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1,3-benzoxazol-3(2H)-yl]propan-1-aminium 2,4,6-trinitrophenolate
Technical Specifications
| Molecular Formula | C19H18F3N5O9 |
| Molecular Weight | 517.10565 g/mol |
| XLogP | 1.63 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.10565 Da |
| Heavy Atoms | 36 |
| Complexity | 652.0 |
| SMILES | C[NH+](C)CCCN1C2=C(C=CC(=C2)C(F)(F)F)OC1=O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SUOQRZHJGDUTDK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate
Property Insights of 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate
The XLogP value of 1.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate. The TPSA of 195.0 Ų indicates high polarity, suggesting 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate?
The CAS number of 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate is 19420-42-9.
What is the molecular formula of 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate?
The molecular formula of 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate is C19H18F3N5O9.
What is the molecular weight of 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate?
The molecular weight of 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate is 517.10565 g/mol.
Where can I buy 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate?
You can request a quote for 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate?
Yes, CoreyChem provides custom synthesis services for 2-Benzoxazolinone, 3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)-, monopicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.