(E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 577761-22-9) is a chemical compound with molecular formula C20H19ClN6O3 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, (8E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2E)-[(5-methylfuran-2-yl)methylidene]hydrazinylidene}-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]purine-2,6-dione
| Molecular Formula | C20H19ClN6O3 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 2.48282 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.12073 |
| Heavy Atoms | 30 |
| Complexity | 1392.0404 |
Chemical Identifiers
| CAS Number | 577761-22-9 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=N/NC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C |
Product Overview
(E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 577761-22-9), with molecular formula C20H19ClN6O3 and molecular weight 426.12 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.48282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione has 1 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)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 577761-22-9.
What is the molecular formula of (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is C20H19ClN6O3.
What is the molecular weight of (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 426.12 g/mol.
Where can I buy (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)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-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.