8-Methylaminocaffeine
TL;DR: 8-Methylaminocaffeine (CAS 5422-30-0) is a chemical compound with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-8-(methylamino)purine-2,6-dione
Also Known As: 8-Methylaminocaffeine, METHYLAMINOCAFFEINE, 8-, 1,3,7-trimethyl-8-(methylamino)purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(methylamino)-, 1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-8-(methylamino)-
| Molecular Formula | C9H13N5O2 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.10692 |
| Heavy Atoms | 16 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 5422-30-0 |
|---|---|
| SMILES | CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C |
| InChIKey | FCCZIRITMFVXOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Methylaminocaffeine (CAS 5422-30-0), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: 1,3,7-trimethyl-8-(methylamino)purine-2,6-dione.
Chemical Property Profile of 8-Methylaminocaffeine
Property Insights of 8-Methylaminocaffeine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methylaminocaffeine. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Methylaminocaffeine. Following Lipinski's Rule of Five, 8-Methylaminocaffeine has 1 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 8-Methylaminocaffeine?
The CAS number of 8-Methylaminocaffeine is 5422-30-0.
What is the molecular formula of 8-Methylaminocaffeine?
The molecular formula of 8-Methylaminocaffeine is C9H13N5O2.
What is the molecular weight of 8-Methylaminocaffeine?
The molecular weight of 8-Methylaminocaffeine is 223.11 g/mol.
Where can I buy 8-Methylaminocaffeine?
You can request a quote for 8-Methylaminocaffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methylaminocaffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-Methylaminocaffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.