7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 313530-90-4) is a chemical compound with molecular formula C15H24N6O2 and molecular weight 320.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-methylbutyl)-8-piperazin-1-ylpurine-2,6-dione
Also Known As: BAS 00288314, UPCMLD0ENAT5837755:001, 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 2,4-Bis-trichlormethyl-6-isocyanato-s-triazin, AB00131546-02
| Molecular Formula | C15H24N6O2 |
|---|---|
| Molecular Weight | 320.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.19608 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 313530-90-4 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C |
| InChIKey | ZRSJKBZMIQCRAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 313530-90-4), with molecular formula C15H24N6O2 and molecular weight 320.20 g/mol. IUPAC: 3-methyl-7-(3-methylbutyl)-8-piperazin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione has 2 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 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 313530-90-4.
What is the molecular formula of 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C15H24N6O2.
What is the molecular weight of 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 320.20 g/mol.
Where can I buy 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-isopentyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.