9-benzyl-1,8-dimethyl-3H-purine-2,6-dione
TL;DR: 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione (CAS 61080-46-4) 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.
9-benzyl-1,8-dimethyl-3H-purine-2,6-dione
Also Known As: 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione, 9-benzyl-1,8-dimethyl-3,9-dihydro-1H-purine-2,6-dione, 1,8-dimethyl-9-benzyl-1,3-dihydropurine-2,6-dione, 1H-Purine-2,6-dione, 3,9-dihydro-1,8-dimethyl-9-(phenylmethyl)-, RefChem:382126
| Molecular Formula | C14H14N4O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.11166 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 61080-46-4 |
|---|---|
| SMILES | CC1=NC2=C(N1CC3=CC=CC=C3)NC(=O)N(C2=O)C |
| InChIKey | LFZJGQSDRWRZIR-UHFFFAOYSA-N |
Product Overview
9-benzyl-1,8-dimethyl-3H-purine-2,6-dione (CAS 61080-46-4), with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol. IUPAC: 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione.
Chemical Property Profile of 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione
Property Insights of 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione. Following Lipinski's Rule of Five, 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione has 1 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 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione?
The CAS number of 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione is 61080-46-4.
What is the molecular formula of 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione?
The molecular formula of 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione is C14H14N4O2.
What is the molecular weight of 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione?
The molecular weight of 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione is 270.11 g/mol.
Where can I buy 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione?
You can request a quote for 9-benzyl-1,8-dimethyl-3H-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 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.