3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮
TL;DR: 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 (CAS 15837-08-8) is a chemical compound with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮
3,9-dimethylpurine-2,6-dione
Also Known As: 3,9-Dimethylxanthine, 3,9-DimethylX, Xanthine, 3,9-dimethyl-, 3,9-dimethylpurine-2,6-dione, 2,6-Dihydroxy-3,9-dimethylpurine
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 15837-08-8 |
|---|---|
| SMILES | CN1C=NC2=C1N(C(=O)NC2=O)C |
| InChIKey | HEOWZFHIJSYJIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 (CAS 15837-08-8), with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol. IUPAC: 3,9-dimethylpurine-2,6-dione.
Chemical Property Profile of 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮
Property Insights of 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮
The XLogP value of -0.8 indicates that 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮. Following Lipinski's Rule of Five, 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 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 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮?
The CAS number of 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 is 15837-08-8.
What is the molecular formula of 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮?
The molecular formula of 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 is C7H8N4O2.
What is the molecular weight of 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮?
The molecular weight of 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 is 180.06 g/mol.
Where can I buy 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮?
You can request a quote for 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮?
Yes, KEHONG BIO provides custom synthesis services for 3,9-二氢-3,9-二甲基-1H-嘌呤-2,6-二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.