1,3,7-Trimethylpteridine-2,4(1h,3h)-dione
TL;DR: 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione (CAS 6336-13-6) is a chemical compound with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethylpteridine-2,4-dione
Also Known As: 8-acetoxymercuri-caffeine, 1,3,7-trimethylpteridine-2,4-dione, 1,3,7-trimethylpteridine-2,4(1h,3h)-dione, 1,3,7-Trimethyl-1H-pteridin-2,4-dion, 2,4(1H,3H)-Pteridinedione,1,3,7-trimethyl-
| Molecular Formula | C9H10N4O2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.08037 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 6336-13-6 |
|---|---|
| SMILES | CC1=CN=C2C(=N1)N(C(=O)N(C2=O)C)C |
| InChIKey | AYNMJWQFQJZDLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,7-Trimethylpteridine-2,4(1h,3h)-dione (CAS 6336-13-6), with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol. IUPAC: 1,3,7-trimethylpteridine-2,4-dione.
Chemical Property Profile of 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione
Property Insights of 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione
The XLogP value of -0.3 indicates that 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione. Following Lipinski's Rule of Five, 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione has 0 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 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione?
The CAS number of 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione is 6336-13-6.
What is the molecular formula of 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione?
The molecular formula of 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione is C9H10N4O2.
What is the molecular weight of 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione?
The molecular weight of 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione is 206.08 g/mol.
Where can I buy 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione?
You can request a quote for 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethylpteridine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.