methyl hydrogen benzoylphosphonate
TL;DR: methyl hydrogen benzoylphosphonate (CAS 117928-86-6) is a chemical compound with molecular formula C21H22F3N3O and molecular weight 389.1715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-1-[3-(dimethylamino)propyl]-6-(trifluoromethyl)quinoxalin-2-one
Also Known As: methyl hydrogen benzoylphosphonate, 2(1H)-Quinoxalinone, 1-(3-(dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)-, 1-(3-(Dimethylamino)propyl)-3-(phenylmethyl)-6-(trifluoromethyl)-2(1H)-quinoxalinone, 3-benzyl-1-[3-(dimethylamino)propyl]-6-(trifluoromethyl)quinoxalin-2-one, 2(1H)-Quinoxalinone,1-[3-(dimethylamino)propyl]-3-(phenylmethyl)-6-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C21H22F3N3O |
| Molecular Weight | 389.1715 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.1715 Da |
| Heavy Atoms | 28 |
| Complexity | 570.0 |
| SMILES | CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CC3=CC=CC=C3 |
| InChIKey | OXYRFBZVWYYLAY-UHFFFAOYSA-N |
Chemical Property Profile of methyl hydrogen benzoylphosphonate
Property Insights of methyl hydrogen benzoylphosphonate
The XLogP value of 3.7 indicates that methyl hydrogen benzoylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, methyl hydrogen benzoylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl hydrogen benzoylphosphonate has 0 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 methyl hydrogen benzoylphosphonate?
The CAS number of methyl hydrogen benzoylphosphonate is 117928-86-6.
What is the molecular formula of methyl hydrogen benzoylphosphonate?
The molecular formula of methyl hydrogen benzoylphosphonate is C21H22F3N3O.
What is the molecular weight of methyl hydrogen benzoylphosphonate?
The molecular weight of methyl hydrogen benzoylphosphonate is 389.1715 g/mol.
Where can I buy methyl hydrogen benzoylphosphonate?
You can request a quote for methyl hydrogen benzoylphosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl hydrogen benzoylphosphonate?
Yes, CoreyChem provides custom synthesis services for methyl hydrogen benzoylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.