C20H22BrN7O4
TL;DR: C20H22BrN7O4 (CAS 304879-32-1) is a chemical compound with molecular formula C20H22BrN7O4 and molecular weight 503.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-hydroxy-N-[(E)-2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethylideneamino]benzamide
Also Known As: (E)-5-bromo-2-hydroxy-N'-(2-(3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3-dihydro-1H-purin-7(6H)-yl)ethylidene)benzohydrazide, 5-Bromo-2-hydroxy-benzoic acid [2-(3-methyl-2,6-dioxo-8-piperidin-1-yl-1,2,3,6-tetrahydro-purin-7-yl)-eth-(E)-ylidene]-hydrazide, 5-bromo-2-hydroxy-N-[2-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]ethylideneamino]benzamide
| Molecular Formula | C20H22BrN7O4 |
|---|---|
| Molecular Weight | 503.09 g/mol |
| LogP | 1.2975 |
| Topological Polar Surface Area | 137.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.09167 |
| Heavy Atoms | 32 |
| Complexity | 1317.9551 |
Chemical Identifiers
| CAS Number | 304879-32-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C/C=N/NC(=O)C4=C(C=CC(=C4)Br)O |
Product Overview
C20H22BrN7O4 (CAS 304879-32-1), with molecular formula C20H22BrN7O4 and molecular weight 503.09 g/mol. IUPAC: 5-bromo-2-hydroxy-N-[(E)-2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethylideneamino]benzamide.
Chemical Property Profile of C20H22BrN7O4
Property Insights of C20H22BrN7O4
The XLogP value of 1.2975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22BrN7O4. The TPSA of 137.61 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H22BrN7O4. Following Lipinski's Rule of Five, C20H22BrN7O4 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H22BrN7O4?
The CAS number of C20H22BrN7O4 is 304879-32-1.
What is the molecular formula of C20H22BrN7O4?
The molecular formula of C20H22BrN7O4 is C20H22BrN7O4.
What is the molecular weight of C20H22BrN7O4?
The molecular weight of C20H22BrN7O4 is 503.09 g/mol.
Where can I buy C20H22BrN7O4?
You can request a quote for C20H22BrN7O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22BrN7O4?
Yes, KEHONG BIO provides custom synthesis services for C20H22BrN7O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.