Purealidin A
TL;DR: Purealidin A (CAS 134850-51-4) is a chemical compound with molecular formula C17H22Br2N6O3 and molecular weight 516.012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide
Also Known As: Purealidin A, (2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide, Benzenepropanamide, N-(2-(2-amino-1H-imidazol-4-yl)ethyl)-4-(3-aminopropoxy)-3,5-dibromo-alpha-(hydroxyimino)-, (2E)-N-(2-(2-amino-1H-imidazol-5-yl)ethyl)-3-(4-(3-aminopropoxy)-3,5-dibromophenyl)-2-hydroxyiminopropanamide, (2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroxyimino-propanamide
Technical Specifications
| Molecular Formula | C17H22Br2N6O3 |
| Molecular Weight | 516.012 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.012 Da |
| Heavy Atoms | 28 |
| Complexity | 515.0 |
| SMILES | C1=C(C=C(C(=C1Br)OCCCN)Br)C/C(=N\O)/C(=O)NCCC2=CN=C(N2)N |
| InChIKey | VZDKEGKTDBWXJY-AFUMVMLFSA-N |
Chemical Property Profile of Purealidin A
Property Insights of Purealidin A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purealidin A. The TPSA of 152.0 Ų indicates high polarity, suggesting Purealidin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Purealidin A has 5 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 Purealidin A?
The CAS number of Purealidin A is 134850-51-4.
What is the molecular formula of Purealidin A?
The molecular formula of Purealidin A is C17H22Br2N6O3.
What is the molecular weight of Purealidin A?
The molecular weight of Purealidin A is 516.012 g/mol.
Where can I buy Purealidin A?
You can request a quote for Purealidin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Purealidin A?
Yes, CoreyChem provides custom synthesis services for Purealidin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.