7-甲基黄嘌呤
TL;DR: 7-甲基黄嘌呤 (CAS 552-62-5) is a chemical compound with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-甲基黄嘌呤
7-methyl-3H-purine-2,6-dione
Also Known As: 7-Methylxanthine, Heteroxanthine, 7-Methylxanthin, Heteroxanthin, 7-methyl xanthine
| Molecular Formula | C6H6N4O2 |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.04907 |
| Heavy Atoms | 12 |
| Complexity | 242.0 |
| Melting Point | > 300 °C |
Chemical Identifiers
| CAS Number | 552-62-5 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2 |
| InChIKey | PFWLFWPASULGAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-甲基黄嘌呤 (CAS 552-62-5), with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol. IUPAC: 7-methyl-3H-purine-2,6-dione.
Chemical Property Profile of 7-甲基黄嘌呤
Property Insights of 7-甲基黄嘌呤
The XLogP value of -0.9 indicates that 7-甲基黄嘌呤 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-甲基黄嘌呤. Following Lipinski's Rule of Five, 7-甲基黄嘌呤 has 2 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 7-甲基黄嘌呤?
The CAS number of 7-甲基黄嘌呤 is 552-62-5.
What is the molecular formula of 7-甲基黄嘌呤?
The molecular formula of 7-甲基黄嘌呤 is C6H6N4O2.
What is the molecular weight of 7-甲基黄嘌呤?
The molecular weight of 7-甲基黄嘌呤 is 166.05 g/mol.
Where can I buy 7-甲基黄嘌呤?
You can request a quote for 7-甲基黄嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-甲基黄嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 7-甲基黄嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.