RefChem:521920
TL;DR: RefChem:521920 (CAS 478253-52-0) is a chemical compound with molecular formula C18H18Cl2N6O2 and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-chlorobut-2-enyl]-8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 4-CHLOROBENZALDEHYDE {7-[(2E)-3-CHLORO-2-BUTENYL]-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}HYDRAZONE, 8-((E)-2-(4-chlorobenzylidene)hydrazinyl)-7-((E)-3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, (8E)-8-[(2E)-(4-chlorobenzylidene)hydrazinylidene]-7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 4-CHLOROBENZALDEHYDE (7-((2E)-3-CHLORO-2-BUTENYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE, 631-705-7
| Molecular Formula | C18H18Cl2N6O2 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 2.6757 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.08682 |
| Heavy Atoms | 28 |
| Complexity | 1198.0145 |
Chemical Identifiers
| CAS Number | 478253-52-0 |
|---|---|
| SMILES | C/C(=C\CN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
RefChem:521920 (CAS 478253-52-0), with molecular formula C18H18Cl2N6O2 and molecular weight 420.09 g/mol. IUPAC: 7-[(E)-3-chlorobut-2-enyl]-8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of RefChem:521920
Property Insights of RefChem:521920
The XLogP value of 2.6757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:521920. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:521920. Following Lipinski's Rule of Five, RefChem:521920 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 RefChem:521920?
The CAS number of RefChem:521920 is 478253-52-0.
What is the molecular formula of RefChem:521920?
The molecular formula of RefChem:521920 is C18H18Cl2N6O2.
What is the molecular weight of RefChem:521920?
The molecular weight of RefChem:521920 is 420.09 g/mol.
Where can I buy RefChem:521920?
You can request a quote for RefChem:521920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:521920?
Yes, KEHONG BIO provides custom synthesis services for RefChem:521920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.