C29H22BrN3O7
TL;DR: C29H22BrN3O7 (CAS 1024391-01-2) is a chemical compound with molecular formula C29H22BrN3O7 and molecular weight 603.0641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-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-5-ethoxy-4-hydroxyphenyl)-5-(naphthalen-1-yl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(naphthalen-1-yl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-naphthalen-1-yl-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, C29H22BrN3O7
Technical Specifications
| Molecular Formula | C29H22BrN3O7 |
| Molecular Weight | 603.0641 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 603.0641 Da |
| Heavy Atoms | 40 |
| Complexity | 980.0 |
| SMILES | CCOC1=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 | GRKVKYDAHGSZLD-UHFFFAOYSA-N |
Chemical Property Profile of C29H22BrN3O7
Property Insights of C29H22BrN3O7
The XLogP value of 5.8 indicates that C29H22BrN3O7 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 C29H22BrN3O7. Following Lipinski's Rule of Five, C29H22BrN3O7 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 C29H22BrN3O7?
The CAS number of C29H22BrN3O7 is 1024391-01-2.
What is the molecular formula of C29H22BrN3O7?
The molecular formula of C29H22BrN3O7 is C29H22BrN3O7.
What is the molecular weight of C29H22BrN3O7?
The molecular weight of C29H22BrN3O7 is 603.0641 g/mol.
Where can I buy C29H22BrN3O7?
You can request a quote for C29H22BrN3O7 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H22BrN3O7?
Yes, CoreyChem provides custom synthesis services for C29H22BrN3O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.