1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione (CAS 5426-70-0) is a chemical compound with molecular formula C14H14N4O3 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(phenoxymethyl)-7H-purine-2,6-dione
Also Known As: NIOSH/UO8445600, Theophylline, 8-(phenoxymethyl)-, 1,3-dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione, 1,3-dimethyl-8-(phenoxymethyl)-7H-purine-2,6-dione, 1,3-dimethyl-8-(phenoxymethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H14N4O3 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.1066 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 5426-70-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COC3=CC=CC=C3 |
| InChIKey | QIQXXFPSAXJCFM-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione (CAS 5426-70-0), with molecular formula C14H14N4O3 and molecular weight 286.11 g/mol. IUPAC: 1,3-dimethyl-8-(phenoxymethyl)-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-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 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione is 5426-70-0.
What is the molecular formula of 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione is C14H14N4O3.
What is the molecular weight of 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione is 286.11 g/mol.
Where can I buy 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 1,3-Dimethyl-8-(phenoxymethyl)-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 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-(phenoxymethyl)-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.