(E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide
TL;DR: (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide (CAS 102838-54-0) is a chemical compound with molecular formula C18H16BrN7O4 and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(2-bromoethyl)-2-hydroxyindol-3-yl]imino-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide
Also Known As: (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide, N'-[(3E)-1-(2-bromoethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-(6-hydroxy-3-methyl-2-oxo-2,3-dihydro-7H-purin-7-yl)acetohydrazide, N-[(E)-[1-(2-bromoethyl)-2-oxoindol-3-ylidene]amino]-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide, N-[[1-(2-bromoethyl)-2-oxo-indol-3-ylidene]amino]-2-(3-methyl-2,6-dioxo-purin-7-yl)acetamide, N-[[1-(2-bromoethyl)-2-oxoindol-3-ylidene]amino]-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide
| Molecular Formula | C18H16BrN7O4 |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 1.789 |
| Topological Polar Surface Area | 139.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.0447 |
| Heavy Atoms | 30 |
| Complexity | 1426.339 |
Chemical Identifiers
| CAS Number | 102838-54-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C=N2)CC(=O)N=NC3=C(N(C4=CC=CC=C43)CCBr)O |
Product Overview
(E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide (CAS 102838-54-0), with molecular formula C18H16BrN7O4 and molecular weight 473.04 g/mol. IUPAC: N-[1-(2-bromoethyl)-2-hydroxyindol-3-yl]imino-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide.
Chemical Property Profile of (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide
Property Insights of (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide
The XLogP value of 1.789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide. The TPSA of 139.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide?
The CAS number of (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide is 102838-54-0.
What is the molecular formula of (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide?
The molecular formula of (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide is C18H16BrN7O4.
What is the molecular weight of (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide?
The molecular weight of (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide is 473.04 g/mol.
Where can I buy (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide?
You can request a quote for (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)-2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.