1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione
TL;DR: 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione (CAS 7499-91-4) is a chemical compound with molecular formula C15H21N5O2 and molecular weight 303.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione
Also Known As: 1,7-dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione, 1,7-Dimethyl-8-(piperidin-1-yl)-3-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H21N5O2 |
|---|---|
| Molecular Weight | 303.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.16953 |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 7499-91-4 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)CC=C |
| InChIKey | GDCVKFUMXLKAQG-UHFFFAOYSA-N |
Product Overview
1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione (CAS 7499-91-4), with molecular formula C15H21N5O2 and molecular weight 303.17 g/mol. IUPAC: 1,7-dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione
Property Insights of 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione. Following Lipinski's Rule of Five, 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione has 0 hydrogen bond donor(s) and 4 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 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione?
The CAS number of 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione is 7499-91-4.
What is the molecular formula of 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione?
The molecular formula of 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione is C15H21N5O2.
What is the molecular weight of 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione?
The molecular weight of 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione is 303.17 g/mol.
Where can I buy 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione?
You can request a quote for 1,7-Dimethyl-8-piperidin-1-yl-3-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 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dimethyl-8-piperidin-1-yl-3-prop-2-enylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.