![8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/401/401845-72-5.png)
8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 401845-72-5) is a chemical compound with molecular formula C22H20BrClN6O3 and molecular weight 530.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 5-BROMO-2-METHOXYBENZALDEHYDE [7-(2-CHLOROBENZYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE, 8-{[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl]amino}-7-[(2-chlorophenyl)meth yl]-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H20BrClN6O3 |
|---|---|
| Molecular Weight | 530.05 g/mol |
| LogP | 3.3525 |
| Topological Polar Surface Area | 95.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.0469 |
| Heavy Atoms | 33 |
| Complexity | 1504.7716 |
Chemical Identifiers
| CAS Number | 401845-72-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=C(C=CC(=C3)Br)OC)CC4=CC=CC=C4Cl |
Product Overview
8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 401845-72-5), with molecular formula C22H20BrClN6O3 and molecular weight 530.05 g/mol. IUPAC: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 3.3525 indicates that 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 401845-72-5.
What is the molecular formula of 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C22H20BrClN6O3.
What is the molecular weight of 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 530.05 g/mol.
Where can I buy 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.