C28H20BrN3O7
TL;DR: C28H20BrN3O7 (CAS 1024312-44-4) is a chemical compound with molecular formula C28H20BrN3O7 and molecular weight 589.04846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-naphthalen-1-yl-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(naphthalen-1-yl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(naphthalen-1-yl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-naphthalen-1-yl-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, C28H20BrN3O7
Technical Specifications
| Molecular Formula | C28H20BrN3O7 |
| Molecular Weight | 589.04846 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 589.04846 Da |
| Heavy Atoms | 39 |
| Complexity | 964.0 |
| SMILES | COC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)ON2C6=CC(=CC=C6)[N+](=O)[O-])Br)O |
| InChIKey | LOXKQPFLISBJHP-UHFFFAOYSA-N |
Chemical Property Profile of C28H20BrN3O7
Property Insights of C28H20BrN3O7
The XLogP value of 5.4 indicates that C28H20BrN3O7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H20BrN3O7. Following Lipinski's Rule of Five, C28H20BrN3O7 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C28H20BrN3O7?
The CAS number of C28H20BrN3O7 is 1024312-44-4.
What is the molecular formula of C28H20BrN3O7?
The molecular formula of C28H20BrN3O7 is C28H20BrN3O7.
What is the molecular weight of C28H20BrN3O7?
The molecular weight of C28H20BrN3O7 is 589.04846 g/mol.
Where can I buy C28H20BrN3O7?
You can request a quote for C28H20BrN3O7 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H20BrN3O7?
Yes, CoreyChem provides custom synthesis services for C28H20BrN3O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.