3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione
TL;DR: 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione (CAS 313230-36-3) is a chemical compound with molecular formula C13H18N6O2 and molecular weight 290.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione
Also Known As: (S)-4-HEPTANOLIDE, BAS 00363935, 3-methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione, 7-allyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0373-0326
| Molecular Formula | C13H18N6O2 |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.1491 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 313230-36-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC=C |
| InChIKey | SCCRPHAIKDDHQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione (CAS 313230-36-3), with molecular formula C13H18N6O2 and molecular weight 290.15 g/mol. IUPAC: 3-methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione
Property Insights of 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione
The XLogP value of -0.1 indicates that 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-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 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione?
The CAS number of 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione is 313230-36-3.
What is the molecular formula of 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione?
The molecular formula of 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione is C13H18N6O2.
What is the molecular weight of 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione?
The molecular weight of 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione is 290.15 g/mol.
Where can I buy 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione?
You can request a quote for 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-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-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.