Dihydroisoxazole, 1g
TL;DR: Dihydroisoxazole, 1g (CAS 744198-16-1) is a chemical compound with molecular formula C23H25BrN4O5 and molecular weight 516.1008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-4-(benzylamino)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1,4-dioxobutan-2-yl]carbamate
Also Known As: Dihydroisoxazole, 1g, Benzyl [(2S)-4-(benzylamino)-1-{[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino}-1,4-dioxobutan-2-yl]carbamate, benzyl N-[(2S)-4-(benzylamino)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1,4-dioxobutan-2-yl]carbamate, carbamic acid, [(1S)-1-[[[(3-bromo-4,5-dihydro-5-isoxazolyl)methyl]amino]carbonyl]-3-oxo-3-[(phenylmethyl)amino]propyl]-, phenylmethyl ester, Carbamic acid, [(1S)-1-[[[(3-bromo-4,5-dihydro-5-isoxazolyl)methyl]amino]carbonyl]-3-oxo-3-[(phenylmethyl)amino]propyl]-, phenylmethyl ester (9CI)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H25BrN4O5 |
| Molecular Weight | 516.1008 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.1008 Da |
| Heavy Atoms | 33 |
| Complexity | 692.0 |
| SMILES | C1C(ON=C1Br)CNC(=O)[C@H](CC(=O)NCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | CEUQLOQOHODYFT-GGYWPGCISA-N |
Chemical Property Profile of Dihydroisoxazole, 1g
Property Insights of Dihydroisoxazole, 1g
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydroisoxazole, 1g. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydroisoxazole, 1g. Following Lipinski's Rule of Five, Dihydroisoxazole, 1g has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dihydroisoxazole, 1g?
The CAS number of Dihydroisoxazole, 1g is 744198-16-1.
What is the molecular formula of Dihydroisoxazole, 1g?
The molecular formula of Dihydroisoxazole, 1g is C23H25BrN4O5.
What is the molecular weight of Dihydroisoxazole, 1g?
The molecular weight of Dihydroisoxazole, 1g is 516.1008 g/mol.
Where can I buy Dihydroisoxazole, 1g?
You can request a quote for Dihydroisoxazole, 1g directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihydroisoxazole, 1g?
Yes, CoreyChem provides custom synthesis services for Dihydroisoxazole, 1g and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.