3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one
TL;DR: 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one (CAS 98335-22-9) is a chemical compound with molecular formula C7H10N4O and molecular weight 166.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-1,6-dihydropurin-2-one
Also Known As: 3,7-dimethyl-1,6-dihydropurin-2-one, 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one
| Molecular Formula | C7H10N4O |
|---|---|
| Molecular Weight | 166.09 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.08546 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 98335-22-9 |
|---|---|
| SMILES | CN1C=NC2=C1CNC(=O)N2C |
| InChIKey | NPEIHQNAMLQBND-UHFFFAOYSA-N |
Product Overview
3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one (CAS 98335-22-9), with molecular formula C7H10N4O and molecular weight 166.09 g/mol. IUPAC: 3,7-dimethyl-1,6-dihydropurin-2-one.
Chemical Property Profile of 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one
Property Insights of 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one
The XLogP value of -0.9 indicates that 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.2 Ų, 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one has 1 hydrogen bond donor(s) and 2 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-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one?
The CAS number of 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one is 98335-22-9.
What is the molecular formula of 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one?
The molecular formula of 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one is C7H10N4O.
What is the molecular weight of 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one?
The molecular weight of 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one is 166.09 g/mol.
Where can I buy 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one?
You can request a quote for 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.