RefChem:1066790
TL;DR: RefChem:1066790 (CAS 84138-21-6) is a chemical compound with molecular formula C24H21BrN4O5 and molecular weight 524.0695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-bromophenyl)-2-[[[2,3-dihydroxy-2-(4-nitrophenyl)propyl]amino]methyl]quinazolin-4-one
Also Known As: 3-(4-bromophenyl)-2-[[[2,3-dihydroxy-2-(4-nitrophenyl)propyl]amino]methyl]quinazolin-4-one, 4(3H)-Quinazolinone, 3-(4-bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-, (R)-, 4(3H)-Quinazolinone, 3-(4-bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-, (+-)-, 4(3H)-Quinazolinone, 3-(4-bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)-, (S)-, 3-(4-Bromophenyl)-2-(((2,3-dihydroxy-2-(4-nitrophenyl)propyl)amino)methyl)quinazolin-4(3H)-one
Technical Specifications
| Molecular Formula | C24H21BrN4O5 |
| Molecular Weight | 524.0695 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.0695 Da |
| Heavy Atoms | 34 |
| Complexity | 761.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)CNCC(CO)(C3=CC=C(C=C3)[N+](=O)[O-])O)C4=CC=C(C=C4)Br |
| InChIKey | JQQNIHLLRBDHBI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1066790
Property Insights of RefChem:1066790
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066790. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066790. Following Lipinski's Rule of Five, RefChem:1066790 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1066790?
The CAS number of RefChem:1066790 is 84138-21-6.
What is the molecular formula of RefChem:1066790?
The molecular formula of RefChem:1066790 is C24H21BrN4O5.
What is the molecular weight of RefChem:1066790?
The molecular weight of RefChem:1066790 is 524.0695 g/mol.
Where can I buy RefChem:1066790?
You can request a quote for RefChem:1066790 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1066790?
Yes, CoreyChem provides custom synthesis services for RefChem:1066790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.