1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione
TL;DR: 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione (CAS 7464-81-5) is a chemical compound with molecular formula C11H15N5O2 and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione
Also Known As: 1,7-dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione, 1,7-Dimethyl-8-(methylamino)-3-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C11H15N5O2 |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.12257 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 7464-81-5 |
|---|---|
| SMILES | CNC1=NC2=C(N1C)C(=O)N(C(=O)N2CC=C)C |
| InChIKey | WIRJABLWTZJGCU-UHFFFAOYSA-N |
Product Overview
1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione (CAS 7464-81-5), with molecular formula C11H15N5O2 and molecular weight 249.12 g/mol. IUPAC: 1,7-dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione
Property Insights of 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione. Following Lipinski's Rule of Five, 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione has 1 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-(methylamino)-3-prop-2-enylpurine-2,6-dione?
The CAS number of 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione is 7464-81-5.
What is the molecular formula of 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione?
The molecular formula of 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione is C11H15N5O2.
What is the molecular weight of 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione?
The molecular weight of 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione is 249.12 g/mol.
Where can I buy 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione?
You can request a quote for 1,7-Dimethyl-8-(methylamino)-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-(methylamino)-3-prop-2-enylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dimethyl-8-(methylamino)-3-prop-2-enylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.