8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 20886-69-5) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-yl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 3,4-Dihydro-1,4,4-trimethyl-carbostyril, 8-(1,3-benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-(1,3-benzodioxol-5-yl)-1,3-dimethyl-7H-purine-2,6-dione, 8-(Benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H12N4O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.08585 |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 20886-69-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC4=C(C=C3)OCO4 |
| InChIKey | JNBYKYZMRINSLS-UHFFFAOYSA-N |
Product Overview
8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 20886-69-5), with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol. IUPAC: 8-(1,3-benzodioxol-5-yl)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-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 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 20886-69-5.
What is the molecular formula of 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is C14H12N4O4.
What is the molecular weight of 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 300.09 g/mol.
Where can I buy 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-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 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,3-Benzodioxol-5-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.