3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione (CAS 1807-85-8) is a chemical compound with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-Benzyltheophylline, N-Benzyl xanthine, 7-benzyltheophyllin, Theophylline, 7-benzyl-, Doxofylline Impurity 42
| Molecular Formula | C14H14N4O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.11166 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 1807-85-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3 |
| InChIKey | WXWQVDBZDNPNLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione (CAS 1807-85-8), with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol. IUPAC: 7-benzyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 3 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 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione is 1807-85-8.
What is the molecular formula of 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione is C14H14N4O2.
What is the molecular weight of 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione is 270.11 g/mol.
Where can I buy 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-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 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.