3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
TL;DR: 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione (CAS 377068-41-2) 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-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 03008087, UPCMLD0ENAT5837022:001, AB01313133-01, 3-methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione, 7-ISOPENTYL-3-METHYL-8-(4-PHENYL-1-PIPERAZINYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H28N6O2 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 1.796 |
| 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 | 1103.8871 |
Chemical Identifiers
| CAS Number | 377068-41-2 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C |
Product Overview
3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione (CAS 377068-41-2), with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol. IUPAC: 3-methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Property Insights of 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
The XLogP value of 1.796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione 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 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione?
The CAS number of 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione is 377068-41-2.
What is the molecular formula of 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione?
The molecular formula of 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione is C21H28N6O2.
What is the molecular weight of 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione?
The molecular weight of 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione is 396.23 g/mol.
Where can I buy 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione?
You can request a quote for 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)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 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.