(E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 862245-12-3) is a chemical compound with molecular formula C25H25N7O5 and molecular weight 503.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, (8Z)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-[(2Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione
| Molecular Formula | C25H25N7O5 |
|---|---|
| Molecular Weight | 503.19 g/mol |
| LogP | 2.78432 |
| Topological Polar Surface Area | 152.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1917 |
| Heavy Atoms | 37 |
| Complexity | 1776.415 |
Chemical Identifiers
| CAS Number | 862245-12-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N=NC4=C(NC5=CC=CC=C54)O)N(C(=O)N(C3=O)C)C)O |
Product Overview
(E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 862245-12-3), with molecular formula C25H25N7O5 and molecular weight 503.19 g/mol. IUPAC: 8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.78432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 152.02 Ų indicates high polarity, suggesting (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 862245-12-3.
What is the molecular formula of (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is C25H25N7O5.
What is the molecular weight of (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 503.19 g/mol.
Where can I buy (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.