RefChem:545028
TL;DR: RefChem:545028 (CAS 476481-81-9) is a chemical compound with molecular formula C24H25ClN6O3 and molecular weight 480.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: 7-(2-chlorobenzyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione, 7-(2-CHLOROBENZYL)-8-[4-(4-METHOXYPHENYL)-1-PIPERAZINYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 648-560-0
| Molecular Formula | C24H25ClN6O3 |
|---|---|
| Molecular Weight | 480.17 g/mol |
| LogP | 2.4602 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.16766 |
| Heavy Atoms | 34 |
| Complexity | 1448.5826 |
Chemical Identifiers
| CAS Number | 476481-81-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5Cl |
Product Overview
RefChem:545028 (CAS 476481-81-9), with molecular formula C24H25ClN6O3 and molecular weight 480.17 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of RefChem:545028
Property Insights of RefChem:545028
The XLogP value of 2.4602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:545028. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:545028. Following Lipinski's Rule of Five, RefChem:545028 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 RefChem:545028?
The CAS number of RefChem:545028 is 476481-81-9.
What is the molecular formula of RefChem:545028?
The molecular formula of RefChem:545028 is C24H25ClN6O3.
What is the molecular weight of RefChem:545028?
The molecular weight of RefChem:545028 is 480.17 g/mol.
Where can I buy RefChem:545028?
You can request a quote for RefChem:545028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:545028?
Yes, KEHONG BIO provides custom synthesis services for RefChem:545028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.