(E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 682776-56-3) is a chemical compound with molecular formula C18H21N7O4 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
Also Known As: (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, F1064-0177, 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione, 3-methyl-7-(2-methylpropyl)-8-[(E)-2-[1-(4-nitrophenyl)ethylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-7-(2-methylpropyl)-8-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
| Molecular Formula | C18H21N7O4 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 1.8236 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1655 |
| Heavy Atoms | 29 |
| Complexity | 1215.966 |
Chemical Identifiers
| CAS Number | 682776-56-3 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
(E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 682776-56-3), with molecular formula C18H21N7O4 and molecular weight 399.17 g/mol. IUPAC: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.8236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 140.21 Ų indicates high polarity, suggesting (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)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-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 7 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)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 682776-56-3.
What is the molecular formula of (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is C18H21N7O4.
What is the molecular weight of (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 399.17 g/mol.
Where can I buy (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)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-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-isobutyl-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.