AB00433922-04
TL;DR: AB00433922-04 (CAS 838869-57-1) is a chemical compound with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-propylpurine-2,6-dione
Also Known As: AB00433922-04, 3-methyl-8-(4-(3-methylbenzyl)piperazin-1-yl)-7-propyl-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-[4-(3-methylbenzyl)piperazin-1-yl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-propylpurine-2,6-dione, 6-hydroxy-3-methyl-8-[4-(3-methylbenzyl)piperazin-1-yl]-7-propyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H28N6O2 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 1.46392 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.2274 |
| Heavy Atoms | 29 |
| Complexity | 1134.2593 |
Chemical Identifiers
| CAS Number | 838869-57-1 |
|---|---|
| SMILES | CCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC(=C4)C)N(C(=O)NC2=O)C |
Product Overview
AB00433922-04 (CAS 838869-57-1), with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol. IUPAC: 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-propylpurine-2,6-dione.
Chemical Property Profile of AB00433922-04
Property Insights of AB00433922-04
The XLogP value of 1.46392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00433922-04. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00433922-04. Following Lipinski's Rule of Five, AB00433922-04 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 AB00433922-04?
The CAS number of AB00433922-04 is 838869-57-1.
What is the molecular formula of AB00433922-04?
The molecular formula of AB00433922-04 is C21H28N6O2.
What is the molecular weight of AB00433922-04?
The molecular weight of AB00433922-04 is 396.23 g/mol.
Where can I buy AB00433922-04?
You can request a quote for AB00433922-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00433922-04?
Yes, KEHONG BIO provides custom synthesis services for AB00433922-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.