(E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 378204-48-9) is a chemical compound with molecular formula C17H16ClFN6O2 and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, AB00763930-01, F0839-0026, 8-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
| Molecular Formula | C17H16ClFN6O2 |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 1.8582 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.10074 |
| Heavy Atoms | 27 |
| Complexity | 1170.5725 |
Chemical Identifiers
| CAS Number | 378204-48-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=C(C=CC=C3Cl)F)CC=C |
Product Overview
(E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 378204-48-9), with molecular formula C17H16ClFN6O2 and molecular weight 390.10 g/mol. IUPAC: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.8582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 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-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 378204-48-9.
What is the molecular formula of (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C17H16ClFN6O2.
What is the molecular weight of (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 390.10 g/mol.
Where can I buy (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-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-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-allyl-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.