RefChem:525525
TL;DR: RefChem:525525 (CAS 478253-28-0) is a chemical compound with molecular formula C19H21ClN6O2 and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: 4-methylbenzaldehyde {7-[(2Z)-3-chloro-2-butenyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone, 4-Methylbenzaldehyde (7-((2Z)-3-chloro-2-butenyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)hydrazone, 631-946-8, 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[2-[(4-methylphenyl)methylidene]hydrazinyl]purine-2,6-dione, RefChem:525525
| Molecular Formula | C19H21ClN6O2 |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 2.33072 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.14145 |
| Heavy Atoms | 28 |
| Complexity | 1194.3625 |
Chemical Identifiers
| CAS Number | 478253-28-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=N/NC2=NC3=C(N2C/C=C(/C)\Cl)C(=O)N(C(=O)N3C)C |
Product Overview
RefChem:525525 (CAS 478253-28-0), with molecular formula C19H21ClN6O2 and molecular weight 400.14 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of RefChem:525525
Property Insights of RefChem:525525
The XLogP value of 2.33072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:525525. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:525525. Following Lipinski's Rule of Five, RefChem:525525 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:525525?
The CAS number of RefChem:525525 is 478253-28-0.
What is the molecular formula of RefChem:525525?
The molecular formula of RefChem:525525 is C19H21ClN6O2.
What is the molecular weight of RefChem:525525?
The molecular weight of RefChem:525525 is 400.14 g/mol.
Where can I buy RefChem:525525?
You can request a quote for RefChem:525525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:525525?
Yes, KEHONG BIO provides custom synthesis services for RefChem:525525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.